USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= 1.44 K(o=3.1,f=-1.8) USER MOD Set 1.2: A 70 TYR OH : rot -14:sc= 1.71 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0727 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0.387 (180deg=0.384) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -179:sc= -0.312 (180deg=-0.315) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00138 USER MOD Single : A 30 ASN : amide:sc= 0.245 K(o=0.25,f=-0.74) USER MOD Single : A 32 TYR OH : rot 153:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.42) USER MOD Single : A 50 MET CE :methyl -144:sc= 0 (180deg=-0.328) USER MOD Single : A 52 LYS NZ :NH3+ -139:sc= 1.69 (180deg=0.412) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0.00183 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0328) USER MOD Single : A 74 MET CE :methyl -176:sc= -0.152 (180deg=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.699 K(o=-0.7,f=-2.4!) USER MOD Single : A 82 MET CE :methyl -177:sc= 0 (180deg=-0.0107) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.355 6.609 3.914 1.00 40.04 N ATOM 2 CA GLY A 1 -19.348 7.269 3.073 1.00 34.03 C ATOM 3 C GLY A 1 -18.436 6.264 2.395 1.00 61.02 C ATOM 4 O GLY A 1 -18.422 5.087 2.754 1.00 24.14 O ATOM 0 H1 GLY A 1 -21.300 6.758 3.506 1.00 40.04 H new ATOM 0 H2 GLY A 1 -20.155 5.590 3.960 1.00 40.04 H new ATOM 0 H3 GLY A 1 -20.325 7.011 4.872 1.00 40.04 H new ATOM 0 HA2 GLY A 1 -19.847 7.876 2.317 1.00 34.03 H new ATOM 0 HA3 GLY A 1 -18.752 7.947 3.684 1.00 34.03 H new ATOM 8 N MET A 2 -17.624 6.752 1.455 1.00 4.44 N ATOM 9 CA MET A 2 -16.666 5.998 0.647 1.00 22.34 C ATOM 10 C MET A 2 -15.269 6.583 0.901 1.00 23.04 C ATOM 11 O MET A 2 -15.063 7.210 1.945 1.00 63.11 O ATOM 12 CB MET A 2 -17.108 6.041 -0.829 1.00 62.03 C ATOM 13 CG MET A 2 -17.159 7.469 -1.388 1.00 4.52 C ATOM 14 SD MET A 2 -17.298 7.574 -3.186 1.00 74.22 S ATOM 15 CE MET A 2 -17.398 9.373 -3.304 1.00 74.13 C ATOM 0 H MET A 2 -17.618 7.746 1.224 1.00 4.44 H new ATOM 0 HA MET A 2 -16.629 4.944 0.921 1.00 22.34 H new ATOM 0 HB2 MET A 2 -16.420 5.445 -1.428 1.00 62.03 H new ATOM 0 HB3 MET A 2 -18.092 5.582 -0.923 1.00 62.03 H new ATOM 0 HG2 MET A 2 -18.006 7.989 -0.941 1.00 4.52 H new ATOM 0 HG3 MET A 2 -16.259 7.999 -1.076 1.00 4.52 H new ATOM 0 HE1 MET A 2 -17.491 9.664 -4.350 1.00 74.13 H new ATOM 0 HE2 MET A 2 -18.268 9.726 -2.751 1.00 74.13 H new ATOM 0 HE3 MET A 2 -16.496 9.816 -2.882 1.00 74.13 H new ATOM 25 N GLN A 3 -14.309 6.389 -0.011 1.00 34.25 N ATOM 26 CA GLN A 3 -12.975 6.990 0.026 1.00 44.33 C ATOM 27 C GLN A 3 -12.121 6.543 1.223 1.00 72.24 C ATOM 28 O GLN A 3 -11.120 7.192 1.501 1.00 52.34 O ATOM 29 CB GLN A 3 -13.093 8.533 -0.065 1.00 51.22 C ATOM 30 CG GLN A 3 -12.268 9.157 -1.202 1.00 2.42 C ATOM 31 CD GLN A 3 -12.825 8.880 -2.593 1.00 22.31 C ATOM 32 OE1 GLN A 3 -13.697 8.038 -2.812 1.00 61.33 O ATOM 33 NE2 GLN A 3 -12.311 9.561 -3.594 1.00 54.34 N ATOM 0 H GLN A 3 -14.447 5.787 -0.823 1.00 34.25 H new ATOM 0 HA GLN A 3 -12.433 6.622 -0.845 1.00 44.33 H new ATOM 0 HB2 GLN A 3 -14.141 8.800 -0.202 1.00 51.22 H new ATOM 0 HB3 GLN A 3 -12.774 8.968 0.882 1.00 51.22 H new ATOM 0 HG2 GLN A 3 -12.216 10.235 -1.050 1.00 2.42 H new ATOM 0 HG3 GLN A 3 -11.248 8.778 -1.148 1.00 2.42 H new ATOM 0 HE21 GLN A 3 -11.589 10.259 -3.418 1.00 54.34 H new ATOM 0 HE22 GLN A 3 -12.635 9.391 -4.546 1.00 54.34 H new ATOM 42 N PHE A 4 -12.522 5.488 1.942 1.00 61.11 N ATOM 43 CA PHE A 4 -11.949 5.070 3.226 1.00 51.41 C ATOM 44 C PHE A 4 -11.880 3.550 3.234 1.00 0.14 C ATOM 45 O PHE A 4 -10.802 2.965 3.226 1.00 0.15 O ATOM 46 CB PHE A 4 -12.791 5.623 4.385 1.00 41.23 C ATOM 47 CG PHE A 4 -12.091 6.568 5.335 1.00 42.42 C ATOM 48 CD1 PHE A 4 -11.583 7.764 4.813 1.00 71.40 C ATOM 49 CD2 PHE A 4 -11.990 6.315 6.717 1.00 13.02 C ATOM 50 CE1 PHE A 4 -10.927 8.686 5.635 1.00 73.43 C ATOM 51 CE2 PHE A 4 -11.363 7.258 7.554 1.00 55.20 C ATOM 52 CZ PHE A 4 -10.821 8.440 7.014 1.00 3.44 C ATOM 0 H PHE A 4 -13.281 4.881 1.634 1.00 61.11 H new ATOM 0 HA PHE A 4 -10.943 5.468 3.356 1.00 51.41 H new ATOM 0 HB2 PHE A 4 -13.654 6.139 3.964 1.00 41.23 H new ATOM 0 HB3 PHE A 4 -13.173 4.781 4.961 1.00 41.23 H new ATOM 0 HD1 PHE A 4 -11.699 7.977 3.761 1.00 71.40 H new ATOM 0 HD2 PHE A 4 -12.391 5.403 7.133 1.00 13.02 H new ATOM 0 HE1 PHE A 4 -10.503 9.584 5.211 1.00 73.43 H new ATOM 0 HE2 PHE A 4 -11.297 7.074 8.616 1.00 55.20 H new ATOM 0 HZ PHE A 4 -10.327 9.154 7.656 1.00 3.44 H new ATOM 62 N LYS A 5 -13.038 2.896 3.117 1.00 40.32 N ATOM 63 CA LYS A 5 -13.140 1.446 2.971 1.00 13.11 C ATOM 64 C LYS A 5 -12.180 0.943 1.894 1.00 43.42 C ATOM 65 O LYS A 5 -11.421 0.002 2.132 1.00 20.43 O ATOM 66 CB LYS A 5 -14.605 1.078 2.681 1.00 34.04 C ATOM 67 CG LYS A 5 -15.384 0.875 3.989 1.00 22.24 C ATOM 68 CD LYS A 5 -16.905 0.832 3.798 1.00 33.30 C ATOM 69 CE LYS A 5 -17.434 2.240 3.504 1.00 34.52 C ATOM 70 NZ LYS A 5 -18.878 2.376 3.771 1.00 43.40 N ATOM 0 H LYS A 5 -13.943 3.367 3.121 1.00 40.32 H new ATOM 0 HA LYS A 5 -12.843 0.952 3.896 1.00 13.11 H new ATOM 0 HB2 LYS A 5 -15.073 1.867 2.092 1.00 34.04 H new ATOM 0 HB3 LYS A 5 -14.645 0.167 2.083 1.00 34.04 H new ATOM 0 HG2 LYS A 5 -15.058 -0.055 4.455 1.00 22.24 H new ATOM 0 HG3 LYS A 5 -15.136 1.682 4.679 1.00 22.24 H new ATOM 0 HD2 LYS A 5 -17.158 0.160 2.978 1.00 33.30 H new ATOM 0 HD3 LYS A 5 -17.382 0.435 4.694 1.00 33.30 H new ATOM 0 HE2 LYS A 5 -16.888 2.962 4.110 1.00 34.52 H new ATOM 0 HE3 LYS A 5 -17.237 2.486 2.461 1.00 34.52 H new ATOM 0 HZ1 LYS A 5 -19.188 3.337 3.523 1.00 43.40 H new ATOM 0 HZ2 LYS A 5 -19.403 1.684 3.199 1.00 43.40 H new ATOM 0 HZ3 LYS A 5 -19.062 2.202 4.780 1.00 43.40 H new ATOM 84 N ALA A 6 -12.170 1.595 0.729 1.00 72.31 N ATOM 85 CA ALA A 6 -11.261 1.247 -0.353 1.00 0.21 C ATOM 86 C ALA A 6 -9.816 1.702 -0.130 1.00 71.34 C ATOM 87 O ALA A 6 -8.895 1.194 -0.777 1.00 13.35 O ATOM 88 CB ALA A 6 -11.785 1.835 -1.664 1.00 12.14 C ATOM 0 H ALA A 6 -12.791 2.375 0.515 1.00 72.31 H new ATOM 0 HA ALA A 6 -11.233 0.158 -0.391 1.00 0.21 H new ATOM 0 HB1 ALA A 6 -11.106 1.576 -2.476 1.00 12.14 H new ATOM 0 HB2 ALA A 6 -12.774 1.429 -1.875 1.00 12.14 H new ATOM 0 HB3 ALA A 6 -11.849 2.920 -1.577 1.00 12.14 H new ATOM 94 N GLU A 7 -9.591 2.663 0.762 1.00 52.32 N ATOM 95 CA GLU A 7 -8.330 3.383 0.819 1.00 61.43 C ATOM 96 C GLU A 7 -7.352 2.472 1.587 1.00 13.32 C ATOM 97 O GLU A 7 -6.263 2.162 1.105 1.00 0.45 O ATOM 98 CB GLU A 7 -8.535 4.783 1.449 1.00 64.13 C ATOM 99 CG GLU A 7 -8.198 4.948 2.933 1.00 2.05 C ATOM 100 CD GLU A 7 -8.575 6.322 3.483 1.00 11.22 C ATOM 101 OE1 GLU A 7 -8.441 7.350 2.778 1.00 71.33 O ATOM 102 OE2 GLU A 7 -9.047 6.336 4.644 1.00 33.41 O ATOM 0 H GLU A 7 -10.274 2.960 1.459 1.00 52.32 H new ATOM 0 HA GLU A 7 -7.914 3.591 -0.167 1.00 61.43 H new ATOM 0 HB2 GLU A 7 -7.933 5.496 0.886 1.00 64.13 H new ATOM 0 HB3 GLU A 7 -9.578 5.066 1.308 1.00 64.13 H new ATOM 0 HG2 GLU A 7 -8.717 4.179 3.505 1.00 2.05 H new ATOM 0 HG3 GLU A 7 -7.130 4.786 3.077 1.00 2.05 H new ATOM 109 N ALA A 8 -7.793 1.929 2.729 1.00 75.20 N ATOM 110 CA ALA A 8 -7.007 1.018 3.549 1.00 12.01 C ATOM 111 C ALA A 8 -6.741 -0.297 2.816 1.00 24.51 C ATOM 112 O ALA A 8 -5.699 -0.918 3.022 1.00 64.24 O ATOM 113 CB ALA A 8 -7.749 0.728 4.850 1.00 2.04 C ATOM 0 H ALA A 8 -8.721 2.117 3.109 1.00 75.20 H new ATOM 0 HA ALA A 8 -6.050 1.495 3.762 1.00 12.01 H new ATOM 0 HB1 ALA A 8 -7.158 0.046 5.462 1.00 2.04 H new ATOM 0 HB2 ALA A 8 -7.907 1.659 5.394 1.00 2.04 H new ATOM 0 HB3 ALA A 8 -8.713 0.271 4.625 1.00 2.04 H new ATOM 119 N ARG A 9 -7.667 -0.725 1.947 1.00 21.11 N ATOM 120 CA ARG A 9 -7.466 -1.860 1.049 1.00 51.42 C ATOM 121 C ARG A 9 -6.271 -1.556 0.157 1.00 51.41 C ATOM 122 O ARG A 9 -5.270 -2.254 0.255 1.00 44.23 O ATOM 123 CB ARG A 9 -8.762 -2.153 0.273 1.00 52.24 C ATOM 124 CG ARG A 9 -8.748 -3.461 -0.543 1.00 72.45 C ATOM 125 CD ARG A 9 -8.529 -4.743 0.259 1.00 55.22 C ATOM 126 NE ARG A 9 -9.529 -4.840 1.322 1.00 2.13 N ATOM 127 CZ ARG A 9 -9.378 -5.187 2.597 1.00 31.10 C ATOM 128 NH1 ARG A 9 -8.247 -5.723 3.028 1.00 3.04 N ATOM 129 NH2 ARG A 9 -10.392 -4.970 3.420 1.00 11.43 N ATOM 0 H ARG A 9 -8.583 -0.286 1.850 1.00 21.11 H new ATOM 0 HA ARG A 9 -7.240 -2.772 1.601 1.00 51.42 H new ATOM 0 HB2 ARG A 9 -9.591 -2.192 0.980 1.00 52.24 H new ATOM 0 HB3 ARG A 9 -8.959 -1.322 -0.404 1.00 52.24 H new ATOM 0 HG2 ARG A 9 -9.696 -3.545 -1.075 1.00 72.45 H new ATOM 0 HG3 ARG A 9 -7.964 -3.388 -1.297 1.00 72.45 H new ATOM 0 HD2 ARG A 9 -8.598 -5.610 -0.398 1.00 55.22 H new ATOM 0 HD3 ARG A 9 -7.527 -4.748 0.688 1.00 55.22 H new ATOM 0 HE ARG A 9 -10.483 -4.607 1.045 1.00 2.13 H new ATOM 0 HH11 ARG A 9 -7.475 -5.875 2.379 1.00 3.04 H new ATOM 0 HH12 ARG A 9 -8.147 -5.984 4.009 1.00 3.04 H new ATOM 0 HH21 ARG A 9 -11.253 -4.550 3.069 1.00 11.43 H new ATOM 0 HH22 ARG A 9 -10.313 -5.223 4.405 1.00 11.43 H new ATOM 143 N ARG A 10 -6.336 -0.510 -0.674 1.00 12.34 N ATOM 144 CA ARG A 10 -5.251 -0.077 -1.564 1.00 40.40 C ATOM 145 C ARG A 10 -3.917 -0.087 -0.805 1.00 71.03 C ATOM 146 O ARG A 10 -2.953 -0.675 -1.293 1.00 54.14 O ATOM 147 CB ARG A 10 -5.640 1.312 -2.101 1.00 13.42 C ATOM 148 CG ARG A 10 -4.733 1.937 -3.175 1.00 24.22 C ATOM 149 CD ARG A 10 -4.353 3.384 -2.811 1.00 11.43 C ATOM 150 NE ARG A 10 -5.524 4.261 -2.570 1.00 62.02 N ATOM 151 CZ ARG A 10 -5.623 5.176 -1.589 1.00 5.15 C ATOM 152 NH1 ARG A 10 -4.609 5.423 -0.784 1.00 51.53 N ATOM 153 NH2 ARG A 10 -6.733 5.872 -1.386 1.00 13.45 N ATOM 0 H ARG A 10 -7.168 0.076 -0.749 1.00 12.34 H new ATOM 0 HA ARG A 10 -5.114 -0.752 -2.408 1.00 40.40 H new ATOM 0 HB2 ARG A 10 -6.648 1.245 -2.510 1.00 13.42 H new ATOM 0 HB3 ARG A 10 -5.684 1.999 -1.256 1.00 13.42 H new ATOM 0 HG2 ARG A 10 -3.829 1.338 -3.285 1.00 24.22 H new ATOM 0 HG3 ARG A 10 -5.243 1.924 -4.138 1.00 24.22 H new ATOM 0 HD2 ARG A 10 -3.728 3.373 -1.918 1.00 11.43 H new ATOM 0 HD3 ARG A 10 -3.752 3.807 -3.616 1.00 11.43 H new ATOM 0 HE ARG A 10 -6.320 4.162 -3.200 1.00 62.02 H new ATOM 0 HH11 ARG A 10 -3.731 4.917 -0.900 1.00 51.53 H new ATOM 0 HH12 ARG A 10 -4.702 6.120 -0.046 1.00 51.53 H new ATOM 0 HH21 ARG A 10 -7.546 5.721 -1.983 1.00 13.45 H new ATOM 0 HH22 ARG A 10 -6.774 6.558 -0.633 1.00 13.45 H new ATOM 167 N ASN A 11 -3.855 0.502 0.389 1.00 32.35 N ATOM 168 CA ASN A 11 -2.624 0.520 1.179 1.00 2.34 C ATOM 169 C ASN A 11 -2.185 -0.892 1.584 1.00 32.21 C ATOM 170 O ASN A 11 -1.023 -1.247 1.397 1.00 35.22 O ATOM 171 CB ASN A 11 -2.758 1.424 2.413 1.00 11.32 C ATOM 172 CG ASN A 11 -2.924 2.905 2.083 1.00 23.12 C ATOM 173 OD1 ASN A 11 -2.980 3.283 0.913 1.00 54.50 O ATOM 174 ND2 ASN A 11 -3.042 3.755 3.085 1.00 43.13 N ATOM 0 H ASN A 11 -4.644 0.974 0.831 1.00 32.35 H new ATOM 0 HA ASN A 11 -1.846 0.937 0.540 1.00 2.34 H new ATOM 0 HB2 ASN A 11 -3.615 1.095 3.000 1.00 11.32 H new ATOM 0 HB3 ASN A 11 -1.875 1.299 3.040 1.00 11.32 H new ATOM 0 HD21 ASN A 11 -3.183 4.748 2.898 1.00 43.13 H new ATOM 0 HD22 ASN A 11 -2.992 3.419 4.047 1.00 43.13 H new ATOM 181 N LYS A 12 -3.091 -1.728 2.110 1.00 60.54 N ATOM 182 CA LYS A 12 -2.798 -3.115 2.485 1.00 75.12 C ATOM 183 C LYS A 12 -2.218 -3.878 1.295 1.00 64.21 C ATOM 184 O LYS A 12 -1.109 -4.390 1.412 1.00 63.12 O ATOM 185 CB LYS A 12 -4.035 -3.797 3.097 1.00 73.41 C ATOM 186 CG LYS A 12 -3.725 -5.231 3.555 1.00 72.35 C ATOM 187 CD LYS A 12 -4.894 -5.876 4.305 1.00 51.02 C ATOM 188 CE LYS A 12 -4.578 -7.353 4.573 1.00 51.43 C ATOM 189 NZ LYS A 12 -5.625 -8.033 5.364 1.00 64.55 N ATOM 0 H LYS A 12 -4.058 -1.456 2.288 1.00 60.54 H new ATOM 0 HA LYS A 12 -2.035 -3.119 3.264 1.00 75.12 H new ATOM 0 HB2 LYS A 12 -4.390 -3.213 3.946 1.00 73.41 H new ATOM 0 HB3 LYS A 12 -4.841 -3.815 2.363 1.00 73.41 H new ATOM 0 HG2 LYS A 12 -3.476 -5.840 2.686 1.00 72.35 H new ATOM 0 HG3 LYS A 12 -2.846 -5.220 4.200 1.00 72.35 H new ATOM 0 HD2 LYS A 12 -5.069 -5.354 5.246 1.00 51.02 H new ATOM 0 HD3 LYS A 12 -5.808 -5.790 3.718 1.00 51.02 H new ATOM 0 HE2 LYS A 12 -4.455 -7.871 3.622 1.00 51.43 H new ATOM 0 HE3 LYS A 12 -3.627 -7.425 5.101 1.00 51.43 H new ATOM 0 HZ1 LYS A 12 -5.357 -9.027 5.513 1.00 64.55 H new ATOM 0 HZ2 LYS A 12 -5.727 -7.560 6.285 1.00 64.55 H new ATOM 0 HZ3 LYS A 12 -6.529 -7.992 4.852 1.00 64.55 H new ATOM 203 N LEU A 13 -2.904 -3.940 0.144 1.00 62.32 N ATOM 204 CA LEU A 13 -2.407 -4.560 -1.069 1.00 51.34 C ATOM 205 C LEU A 13 -0.975 -4.110 -1.387 1.00 75.05 C ATOM 206 O LEU A 13 -0.112 -4.954 -1.628 1.00 32.04 O ATOM 207 CB LEU A 13 -3.328 -4.267 -2.258 1.00 53.12 C ATOM 208 CG LEU A 13 -4.592 -5.130 -2.243 1.00 11.20 C ATOM 209 CD1 LEU A 13 -5.666 -4.632 -1.339 1.00 54.42 C ATOM 210 CD2 LEU A 13 -5.185 -5.210 -3.652 1.00 31.00 C ATOM 0 H LEU A 13 -3.840 -3.548 0.040 1.00 62.32 H new ATOM 0 HA LEU A 13 -2.395 -5.636 -0.896 1.00 51.34 H new ATOM 0 HB2 LEU A 13 -3.610 -3.214 -2.245 1.00 53.12 H new ATOM 0 HB3 LEU A 13 -2.784 -4.440 -3.187 1.00 53.12 H new ATOM 0 HG LEU A 13 -4.267 -6.102 -1.871 1.00 11.20 H new ATOM 0 HD11 LEU A 13 -6.524 -5.302 -1.390 1.00 54.42 H new ATOM 0 HD12 LEU A 13 -5.293 -4.597 -0.315 1.00 54.42 H new ATOM 0 HD13 LEU A 13 -5.968 -3.632 -1.649 1.00 54.42 H new ATOM 0 HD21 LEU A 13 -6.084 -5.826 -3.634 1.00 31.00 H new ATOM 0 HD22 LEU A 13 -5.438 -4.208 -3.998 1.00 31.00 H new ATOM 0 HD23 LEU A 13 -4.455 -5.654 -4.329 1.00 31.00 H new ATOM 222 N MET A 14 -0.698 -2.798 -1.374 1.00 71.05 N ATOM 223 CA MET A 14 0.637 -2.276 -1.625 1.00 74.12 C ATOM 224 C MET A 14 1.660 -2.859 -0.652 1.00 31.44 C ATOM 225 O MET A 14 2.742 -3.259 -1.074 1.00 63.45 O ATOM 226 CB MET A 14 0.604 -0.747 -1.556 1.00 11.33 C ATOM 227 CG MET A 14 1.902 -0.119 -2.063 1.00 34.21 C ATOM 228 SD MET A 14 2.252 -0.388 -3.821 1.00 22.02 S ATOM 229 CE MET A 14 3.736 0.642 -3.919 1.00 63.10 C ATOM 0 H MET A 14 -1.396 -2.078 -1.189 1.00 71.05 H new ATOM 0 HA MET A 14 0.952 -2.578 -2.624 1.00 74.12 H new ATOM 0 HB2 MET A 14 -0.233 -0.376 -2.148 1.00 11.33 H new ATOM 0 HB3 MET A 14 0.429 -0.435 -0.526 1.00 11.33 H new ATOM 0 HG2 MET A 14 1.865 0.954 -1.876 1.00 34.21 H new ATOM 0 HG3 MET A 14 2.732 -0.516 -1.478 1.00 34.21 H new ATOM 0 HE1 MET A 14 4.117 0.635 -4.940 1.00 63.10 H new ATOM 0 HE2 MET A 14 3.489 1.664 -3.630 1.00 63.10 H new ATOM 0 HE3 MET A 14 4.497 0.248 -3.245 1.00 63.10 H new ATOM 239 N GLY A 15 1.322 -2.980 0.634 1.00 74.34 N ATOM 240 CA GLY A 15 2.208 -3.587 1.616 1.00 35.42 C ATOM 241 C GLY A 15 2.531 -5.049 1.300 1.00 62.25 C ATOM 242 O GLY A 15 3.679 -5.446 1.480 1.00 44.12 O ATOM 0 H GLY A 15 0.432 -2.661 1.017 1.00 74.34 H new ATOM 0 HA2 GLY A 15 3.136 -3.017 1.663 1.00 35.42 H new ATOM 0 HA3 GLY A 15 1.746 -3.527 2.602 1.00 35.42 H new ATOM 246 N LEU A 16 1.584 -5.852 0.789 1.00 60.14 N ATOM 247 CA LEU A 16 1.877 -7.228 0.376 1.00 13.21 C ATOM 248 C LEU A 16 2.862 -7.244 -0.792 1.00 24.34 C ATOM 249 O LEU A 16 3.696 -8.147 -0.875 1.00 4.20 O ATOM 250 CB LEU A 16 0.610 -7.990 -0.063 1.00 53.45 C ATOM 251 CG LEU A 16 -0.271 -8.655 1.008 1.00 64.52 C ATOM 252 CD1 LEU A 16 0.525 -9.376 2.103 1.00 32.20 C ATOM 253 CD2 LEU A 16 -1.263 -7.669 1.626 1.00 61.53 C ATOM 0 H LEU A 16 0.613 -5.571 0.653 1.00 60.14 H new ATOM 0 HA LEU A 16 2.305 -7.721 1.248 1.00 13.21 H new ATOM 0 HB2 LEU A 16 -0.017 -7.292 -0.618 1.00 53.45 H new ATOM 0 HB3 LEU A 16 0.919 -8.766 -0.763 1.00 53.45 H new ATOM 0 HG LEU A 16 -0.831 -9.423 0.475 1.00 64.52 H new ATOM 0 HD11 LEU A 16 -0.164 -9.820 2.821 1.00 32.20 H new ATOM 0 HD12 LEU A 16 1.135 -10.160 1.653 1.00 32.20 H new ATOM 0 HD13 LEU A 16 1.171 -8.662 2.613 1.00 32.20 H new ATOM 0 HD21 LEU A 16 -1.865 -8.181 2.377 1.00 61.53 H new ATOM 0 HD22 LEU A 16 -0.718 -6.850 2.095 1.00 61.53 H new ATOM 0 HD23 LEU A 16 -1.915 -7.273 0.847 1.00 61.53 H new ATOM 265 N TRP A 17 2.744 -6.285 -1.717 1.00 43.33 N ATOM 266 CA TRP A 17 3.690 -6.163 -2.821 1.00 1.30 C ATOM 267 C TRP A 17 5.069 -5.834 -2.257 1.00 20.42 C ATOM 268 O TRP A 17 5.999 -6.606 -2.456 1.00 62.32 O ATOM 269 CB TRP A 17 3.230 -5.126 -3.857 1.00 74.21 C ATOM 270 CG TRP A 17 4.212 -4.933 -4.968 1.00 75.32 C ATOM 271 CD1 TRP A 17 4.536 -5.872 -5.881 1.00 64.34 C ATOM 272 CD2 TRP A 17 5.103 -3.804 -5.233 1.00 32.24 C ATOM 273 NE1 TRP A 17 5.537 -5.395 -6.695 1.00 4.23 N ATOM 274 CE2 TRP A 17 5.944 -4.133 -6.333 1.00 3.24 C ATOM 275 CE3 TRP A 17 5.260 -2.518 -4.679 1.00 62.42 C ATOM 276 CZ2 TRP A 17 6.925 -3.256 -6.821 1.00 14.32 C ATOM 277 CZ3 TRP A 17 6.251 -1.632 -5.145 1.00 34.44 C ATOM 278 CH2 TRP A 17 7.090 -2.004 -6.210 1.00 73.21 C ATOM 0 H TRP A 17 2.002 -5.585 -1.719 1.00 43.33 H new ATOM 0 HA TRP A 17 3.742 -7.113 -3.353 1.00 1.30 H new ATOM 0 HB2 TRP A 17 2.273 -5.439 -4.276 1.00 74.21 H new ATOM 0 HB3 TRP A 17 3.063 -4.172 -3.358 1.00 74.21 H new ATOM 0 HD1 TRP A 17 4.080 -6.848 -5.960 1.00 64.34 H new ATOM 0 HE1 TRP A 17 5.932 -5.918 -7.477 1.00 4.23 H new ATOM 0 HE3 TRP A 17 4.606 -2.205 -3.879 1.00 62.42 H new ATOM 0 HZ2 TRP A 17 7.546 -3.542 -7.657 1.00 14.32 H new ATOM 0 HZ3 TRP A 17 6.367 -0.663 -4.682 1.00 34.44 H new ATOM 0 HH2 TRP A 17 7.858 -1.329 -6.556 1.00 73.21 H new ATOM 289 N VAL A 18 5.201 -4.731 -1.520 1.00 4.30 N ATOM 290 CA VAL A 18 6.491 -4.270 -1.020 1.00 54.14 C ATOM 291 C VAL A 18 7.156 -5.367 -0.177 1.00 72.14 C ATOM 292 O VAL A 18 8.340 -5.617 -0.367 1.00 3.22 O ATOM 293 CB VAL A 18 6.317 -2.921 -0.293 1.00 24.33 C ATOM 294 CG1 VAL A 18 7.609 -2.409 0.355 1.00 74.14 C ATOM 295 CG2 VAL A 18 5.830 -1.837 -1.266 1.00 61.30 C ATOM 0 H VAL A 18 4.417 -4.135 -1.255 1.00 4.30 H new ATOM 0 HA VAL A 18 7.178 -4.080 -1.845 1.00 54.14 H new ATOM 0 HB VAL A 18 5.584 -3.111 0.491 1.00 24.33 H new ATOM 0 HG11 VAL A 18 7.416 -1.457 0.849 1.00 74.14 H new ATOM 0 HG12 VAL A 18 7.960 -3.134 1.089 1.00 74.14 H new ATOM 0 HG13 VAL A 18 8.371 -2.272 -0.412 1.00 74.14 H new ATOM 0 HG21 VAL A 18 5.714 -0.894 -0.732 1.00 61.30 H new ATOM 0 HG22 VAL A 18 6.559 -1.713 -2.067 1.00 61.30 H new ATOM 0 HG23 VAL A 18 4.871 -2.134 -1.691 1.00 61.30 H new ATOM 305 N ALA A 19 6.413 -6.086 0.670 1.00 21.42 N ATOM 306 CA ALA A 19 6.942 -7.206 1.442 1.00 12.23 C ATOM 307 C ALA A 19 7.541 -8.296 0.553 1.00 31.33 C ATOM 308 O ALA A 19 8.648 -8.765 0.815 1.00 13.43 O ATOM 309 CB ALA A 19 5.843 -7.737 2.363 1.00 0.20 C ATOM 0 H ALA A 19 5.424 -5.904 0.838 1.00 21.42 H new ATOM 0 HA ALA A 19 7.772 -6.853 2.054 1.00 12.23 H new ATOM 0 HB1 ALA A 19 6.229 -8.575 2.944 1.00 0.20 H new ATOM 0 HB2 ALA A 19 5.520 -6.945 3.038 1.00 0.20 H new ATOM 0 HB3 ALA A 19 4.996 -8.071 1.764 1.00 0.20 H new ATOM 315 N GLU A 20 6.873 -8.666 -0.537 1.00 20.12 N ATOM 316 CA GLU A 20 7.412 -9.611 -1.506 1.00 43.44 C ATOM 317 C GLU A 20 8.675 -9.064 -2.191 1.00 32.13 C ATOM 318 O GLU A 20 9.614 -9.825 -2.435 1.00 23.24 O ATOM 319 CB GLU A 20 6.297 -9.960 -2.495 1.00 55.52 C ATOM 320 CG GLU A 20 6.782 -10.793 -3.678 1.00 44.15 C ATOM 321 CD GLU A 20 5.636 -11.446 -4.447 1.00 51.11 C ATOM 322 OE1 GLU A 20 4.585 -10.810 -4.707 1.00 32.43 O ATOM 323 OE2 GLU A 20 5.776 -12.635 -4.810 1.00 73.01 O ATOM 0 H GLU A 20 5.943 -8.318 -0.771 1.00 20.12 H new ATOM 0 HA GLU A 20 7.737 -10.523 -1.005 1.00 43.44 H new ATOM 0 HB2 GLU A 20 5.513 -10.507 -1.971 1.00 55.52 H new ATOM 0 HB3 GLU A 20 5.849 -9.039 -2.867 1.00 55.52 H new ATOM 0 HG2 GLU A 20 7.353 -10.158 -4.355 1.00 44.15 H new ATOM 0 HG3 GLU A 20 7.461 -11.567 -3.319 1.00 44.15 H new ATOM 330 N VAL A 21 8.750 -7.756 -2.449 1.00 32.11 N ATOM 331 CA VAL A 21 9.942 -7.112 -3.005 1.00 75.03 C ATOM 332 C VAL A 21 11.095 -7.084 -1.989 1.00 75.13 C ATOM 333 O VAL A 21 12.248 -7.242 -2.390 1.00 42.11 O ATOM 334 CB VAL A 21 9.592 -5.715 -3.564 1.00 4.44 C ATOM 335 CG1 VAL A 21 10.814 -4.994 -4.159 1.00 40.22 C ATOM 336 CG2 VAL A 21 8.553 -5.825 -4.690 1.00 1.52 C ATOM 0 H VAL A 21 7.980 -7.110 -2.277 1.00 32.11 H new ATOM 0 HA VAL A 21 10.301 -7.709 -3.844 1.00 75.03 H new ATOM 0 HB VAL A 21 9.207 -5.148 -2.717 1.00 4.44 H new ATOM 0 HG11 VAL A 21 10.512 -4.017 -4.537 1.00 40.22 H new ATOM 0 HG12 VAL A 21 11.572 -4.865 -3.387 1.00 40.22 H new ATOM 0 HG13 VAL A 21 11.225 -5.588 -4.975 1.00 40.22 H new ATOM 0 HG21 VAL A 21 8.321 -4.830 -5.069 1.00 1.52 H new ATOM 0 HG22 VAL A 21 8.955 -6.437 -5.498 1.00 1.52 H new ATOM 0 HG23 VAL A 21 7.645 -6.287 -4.303 1.00 1.52 H new ATOM 346 N LEU A 22 10.831 -6.913 -0.686 1.00 44.24 N ATOM 347 CA LEU A 22 11.871 -7.006 0.333 1.00 71.24 C ATOM 348 C LEU A 22 12.338 -8.449 0.520 1.00 55.43 C ATOM 349 O LEU A 22 13.469 -8.633 0.954 1.00 71.52 O ATOM 350 CB LEU A 22 11.395 -6.418 1.675 1.00 21.42 C ATOM 351 CG LEU A 22 11.672 -4.906 1.782 1.00 4.04 C ATOM 352 CD1 LEU A 22 10.759 -4.075 0.884 1.00 53.42 C ATOM 353 CD2 LEU A 22 11.435 -4.421 3.209 1.00 53.45 C ATOM 0 H LEU A 22 9.902 -6.709 -0.318 1.00 44.24 H new ATOM 0 HA LEU A 22 12.718 -6.416 -0.016 1.00 71.24 H new ATOM 0 HB2 LEU A 22 10.326 -6.598 1.789 1.00 21.42 H new ATOM 0 HB3 LEU A 22 11.895 -6.936 2.494 1.00 21.42 H new ATOM 0 HG LEU A 22 12.709 -4.774 1.473 1.00 4.04 H new ATOM 0 HD11 LEU A 22 10.999 -3.018 1.000 1.00 53.42 H new ATOM 0 HD12 LEU A 22 10.906 -4.368 -0.155 1.00 53.42 H new ATOM 0 HD13 LEU A 22 9.720 -4.244 1.165 1.00 53.42 H new ATOM 0 HD21 LEU A 22 11.635 -3.351 3.268 1.00 53.45 H new ATOM 0 HD22 LEU A 22 10.400 -4.613 3.491 1.00 53.45 H new ATOM 0 HD23 LEU A 22 12.101 -4.952 3.889 1.00 53.45 H new ATOM 365 N GLY A 23 11.513 -9.448 0.187 1.00 12.44 N ATOM 366 CA GLY A 23 11.804 -10.845 0.488 1.00 13.31 C ATOM 367 C GLY A 23 11.286 -11.245 1.867 1.00 72.13 C ATOM 368 O GLY A 23 11.784 -12.207 2.449 1.00 51.02 O ATOM 0 H GLY A 23 10.627 -9.306 -0.298 1.00 12.44 H new ATOM 0 HA2 GLY A 23 11.350 -11.483 -0.270 1.00 13.31 H new ATOM 0 HA3 GLY A 23 12.880 -11.011 0.441 1.00 13.31 H new ATOM 372 N LYS A 24 10.305 -10.515 2.409 1.00 24.30 N ATOM 373 CA LYS A 24 9.479 -11.007 3.506 1.00 51.12 C ATOM 374 C LYS A 24 8.573 -12.124 2.983 1.00 41.24 C ATOM 375 O LYS A 24 8.474 -12.367 1.771 1.00 23.11 O ATOM 376 CB LYS A 24 8.646 -9.859 4.099 1.00 20.21 C ATOM 377 CG LYS A 24 9.454 -8.925 5.003 1.00 4.21 C ATOM 378 CD LYS A 24 8.569 -7.797 5.563 1.00 75.51 C ATOM 379 CE LYS A 24 9.038 -7.355 6.958 1.00 4.03 C ATOM 380 NZ LYS A 24 10.385 -6.745 6.953 1.00 12.43 N ATOM 0 H LYS A 24 10.066 -9.573 2.099 1.00 24.30 H new ATOM 0 HA LYS A 24 10.114 -11.403 4.298 1.00 51.12 H new ATOM 0 HB2 LYS A 24 8.211 -9.278 3.286 1.00 20.21 H new ATOM 0 HB3 LYS A 24 7.818 -10.278 4.670 1.00 20.21 H new ATOM 0 HG2 LYS A 24 9.887 -9.494 5.825 1.00 4.21 H new ATOM 0 HG3 LYS A 24 10.283 -8.496 4.440 1.00 4.21 H new ATOM 0 HD2 LYS A 24 8.590 -6.945 4.884 1.00 75.51 H new ATOM 0 HD3 LYS A 24 7.535 -8.137 5.616 1.00 75.51 H new ATOM 0 HE2 LYS A 24 8.324 -6.639 7.365 1.00 4.03 H new ATOM 0 HE3 LYS A 24 9.039 -8.218 7.624 1.00 4.03 H new ATOM 0 HZ1 LYS A 24 10.644 -6.468 7.921 1.00 12.43 H new ATOM 0 HZ2 LYS A 24 11.076 -7.433 6.593 1.00 12.43 H new ATOM 0 HZ3 LYS A 24 10.383 -5.904 6.341 1.00 12.43 H new ATOM 394 N SER A 25 7.846 -12.791 3.872 1.00 3.13 N ATOM 395 CA SER A 25 6.833 -13.779 3.506 1.00 11.13 C ATOM 396 C SER A 25 5.664 -13.665 4.487 1.00 3.42 C ATOM 397 O SER A 25 5.693 -12.788 5.355 1.00 43.05 O ATOM 398 CB SER A 25 7.493 -15.157 3.460 1.00 44.03 C ATOM 399 OG SER A 25 8.502 -15.168 2.462 1.00 63.35 O ATOM 0 H SER A 25 7.943 -12.661 4.879 1.00 3.13 H new ATOM 0 HA SER A 25 6.417 -13.605 2.514 1.00 11.13 H new ATOM 0 HB2 SER A 25 7.925 -15.397 4.431 1.00 44.03 H new ATOM 0 HB3 SER A 25 6.747 -15.922 3.246 1.00 44.03 H new ATOM 0 HG SER A 25 8.925 -16.051 2.435 1.00 63.35 H new ATOM 405 N GLY A 26 4.598 -14.456 4.337 1.00 62.32 N ATOM 406 CA GLY A 26 3.266 -14.094 4.831 1.00 11.03 C ATOM 407 C GLY A 26 3.068 -14.131 6.344 1.00 0.41 C ATOM 408 O GLY A 26 1.973 -13.807 6.817 1.00 1.21 O ATOM 0 H GLY A 26 4.633 -15.363 3.871 1.00 62.32 H new ATOM 0 HA2 GLY A 26 3.034 -13.088 4.481 1.00 11.03 H new ATOM 0 HA3 GLY A 26 2.539 -14.766 4.375 1.00 11.03 H new ATOM 412 N ASP A 27 4.139 -14.410 7.081 1.00 74.34 N ATOM 413 CA ASP A 27 4.191 -14.331 8.537 1.00 15.41 C ATOM 414 C ASP A 27 4.536 -12.907 8.983 1.00 51.13 C ATOM 415 O ASP A 27 4.081 -12.448 10.029 1.00 0.14 O ATOM 416 CB ASP A 27 5.221 -15.341 9.087 1.00 75.55 C ATOM 417 CG ASP A 27 4.764 -15.994 10.394 1.00 75.54 C ATOM 418 OD1 ASP A 27 3.823 -15.496 11.046 1.00 40.11 O ATOM 419 OD2 ASP A 27 5.290 -17.081 10.734 1.00 22.30 O ATOM 0 H ASP A 27 5.023 -14.707 6.668 1.00 74.34 H new ATOM 0 HA ASP A 27 3.210 -14.585 8.938 1.00 15.41 H new ATOM 0 HB2 ASP A 27 5.399 -16.115 8.341 1.00 75.55 H new ATOM 0 HB3 ASP A 27 6.171 -14.833 9.252 1.00 75.55 H new ATOM 424 N GLU A 28 5.329 -12.201 8.174 1.00 15.30 N ATOM 425 CA GLU A 28 5.762 -10.838 8.375 1.00 1.44 C ATOM 426 C GLU A 28 4.933 -9.915 7.480 1.00 34.22 C ATOM 427 O GLU A 28 4.557 -8.820 7.882 1.00 40.12 O ATOM 428 CB GLU A 28 7.224 -10.777 7.933 1.00 74.22 C ATOM 429 CG GLU A 28 8.198 -11.227 9.031 1.00 41.31 C ATOM 430 CD GLU A 28 9.395 -10.285 9.160 1.00 22.51 C ATOM 431 OE1 GLU A 28 10.270 -10.340 8.277 1.00 63.43 O ATOM 432 OE2 GLU A 28 9.453 -9.449 10.102 1.00 71.52 O ATOM 0 H GLU A 28 5.702 -12.600 7.313 1.00 15.30 H new ATOM 0 HA GLU A 28 5.644 -10.530 9.414 1.00 1.44 H new ATOM 0 HB2 GLU A 28 7.359 -11.407 7.054 1.00 74.22 H new ATOM 0 HB3 GLU A 28 7.466 -9.757 7.635 1.00 74.22 H new ATOM 0 HG2 GLU A 28 7.671 -11.276 9.984 1.00 41.31 H new ATOM 0 HG3 GLU A 28 8.552 -12.234 8.810 1.00 41.31 H new ATOM 439 N ALA A 29 4.649 -10.344 6.247 1.00 60.34 N ATOM 440 CA ALA A 29 4.109 -9.497 5.188 1.00 24.44 C ATOM 441 C ALA A 29 2.699 -9.006 5.518 1.00 24.42 C ATOM 442 O ALA A 29 2.279 -7.953 5.049 1.00 13.30 O ATOM 443 CB ALA A 29 4.107 -10.279 3.873 1.00 20.52 C ATOM 0 H ALA A 29 4.792 -11.311 5.954 1.00 60.34 H new ATOM 0 HA ALA A 29 4.743 -8.615 5.094 1.00 24.44 H new ATOM 0 HB1 ALA A 29 3.705 -9.652 3.077 1.00 20.52 H new ATOM 0 HB2 ALA A 29 5.126 -10.573 3.623 1.00 20.52 H new ATOM 0 HB3 ALA A 29 3.488 -11.170 3.981 1.00 20.52 H new ATOM 449 N ASN A 30 1.976 -9.759 6.351 1.00 41.15 N ATOM 450 CA ASN A 30 0.640 -9.397 6.811 1.00 22.14 C ATOM 451 C ASN A 30 0.723 -8.171 7.704 1.00 35.52 C ATOM 452 O ASN A 30 -0.074 -7.239 7.595 1.00 1.23 O ATOM 453 CB ASN A 30 -0.026 -10.561 7.564 1.00 11.33 C ATOM 454 CG ASN A 30 0.547 -10.916 8.916 1.00 24.43 C ATOM 455 OD1 ASN A 30 0.190 -10.327 9.933 1.00 62.35 O ATOM 456 ND2 ASN A 30 1.440 -11.880 8.933 1.00 20.22 N ATOM 0 H ASN A 30 2.309 -10.647 6.727 1.00 41.15 H new ATOM 0 HA ASN A 30 0.025 -9.171 5.940 1.00 22.14 H new ATOM 0 HB2 ASN A 30 -1.081 -10.321 7.695 1.00 11.33 H new ATOM 0 HB3 ASN A 30 0.023 -11.447 6.931 1.00 11.33 H new ATOM 0 HD21 ASN A 30 1.865 -12.166 9.815 1.00 20.22 H new ATOM 0 HD22 ASN A 30 1.708 -12.343 8.064 1.00 20.22 H new ATOM 463 N ALA A 31 1.687 -8.214 8.607 1.00 13.14 N ATOM 464 CA ALA A 31 1.952 -7.182 9.579 1.00 63.43 C ATOM 465 C ALA A 31 2.557 -5.957 8.891 1.00 64.31 C ATOM 466 O ALA A 31 2.102 -4.842 9.140 1.00 31.14 O ATOM 467 CB ALA A 31 2.862 -7.763 10.659 1.00 54.14 C ATOM 0 H ALA A 31 2.329 -9.003 8.681 1.00 13.14 H new ATOM 0 HA ALA A 31 1.031 -6.845 10.054 1.00 63.43 H new ATOM 0 HB1 ALA A 31 3.075 -6.998 11.405 1.00 54.14 H new ATOM 0 HB2 ALA A 31 2.366 -8.608 11.137 1.00 54.14 H new ATOM 0 HB3 ALA A 31 3.795 -8.099 10.207 1.00 54.14 H new ATOM 473 N TYR A 32 3.496 -6.146 7.954 1.00 74.32 N ATOM 474 CA TYR A 32 4.019 -5.047 7.148 1.00 15.13 C ATOM 475 C TYR A 32 2.871 -4.363 6.386 1.00 15.01 C ATOM 476 O TYR A 32 2.818 -3.139 6.252 1.00 3.03 O ATOM 477 CB TYR A 32 5.120 -5.561 6.208 1.00 62.41 C ATOM 478 CG TYR A 32 5.791 -4.442 5.433 1.00 31.12 C ATOM 479 CD1 TYR A 32 5.210 -3.973 4.242 1.00 4.20 C ATOM 480 CD2 TYR A 32 6.971 -3.843 5.915 1.00 55.42 C ATOM 481 CE1 TYR A 32 5.768 -2.872 3.568 1.00 62.51 C ATOM 482 CE2 TYR A 32 7.515 -2.724 5.258 1.00 20.42 C ATOM 483 CZ TYR A 32 6.895 -2.206 4.100 1.00 24.24 C ATOM 484 OH TYR A 32 7.411 -1.110 3.480 1.00 14.22 O ATOM 0 H TYR A 32 3.907 -7.055 7.739 1.00 74.32 H new ATOM 0 HA TYR A 32 4.472 -4.297 7.796 1.00 15.13 H new ATOM 0 HB2 TYR A 32 5.870 -6.096 6.790 1.00 62.41 H new ATOM 0 HB3 TYR A 32 4.690 -6.277 5.507 1.00 62.41 H new ATOM 0 HD1 TYR A 32 4.332 -4.460 3.843 1.00 4.20 H new ATOM 0 HD2 TYR A 32 7.459 -4.244 6.791 1.00 55.42 H new ATOM 0 HE1 TYR A 32 5.333 -2.534 2.639 1.00 62.51 H new ATOM 0 HE2 TYR A 32 8.411 -2.259 5.641 1.00 20.42 H new ATOM 0 HH TYR A 32 7.853 -0.538 4.141 1.00 14.22 H new ATOM 494 N ALA A 33 1.896 -5.139 5.906 1.00 11.20 N ATOM 495 CA ALA A 33 0.708 -4.620 5.246 1.00 75.42 C ATOM 496 C ALA A 33 -0.313 -3.973 6.205 1.00 35.11 C ATOM 497 O ALA A 33 -1.386 -3.559 5.757 1.00 31.31 O ATOM 498 CB ALA A 33 0.070 -5.735 4.425 1.00 71.41 C ATOM 0 H ALA A 33 1.915 -6.157 5.968 1.00 11.20 H new ATOM 0 HA ALA A 33 1.028 -3.807 4.594 1.00 75.42 H new ATOM 0 HB1 ALA A 33 -0.822 -5.355 3.926 1.00 71.41 H new ATOM 0 HB2 ALA A 33 0.780 -6.089 3.678 1.00 71.41 H new ATOM 0 HB3 ALA A 33 -0.206 -6.559 5.083 1.00 71.41 H new ATOM 504 N ALA A 34 -0.014 -3.839 7.500 1.00 4.32 N ATOM 505 CA ALA A 34 -0.681 -2.895 8.394 1.00 1.11 C ATOM 506 C ALA A 34 0.146 -1.614 8.520 1.00 3.42 C ATOM 507 O ALA A 34 -0.427 -0.528 8.548 1.00 33.52 O ATOM 508 CB ALA A 34 -0.922 -3.535 9.764 1.00 14.41 C ATOM 0 H ALA A 34 0.709 -4.392 7.961 1.00 4.32 H new ATOM 0 HA ALA A 34 -1.651 -2.633 7.972 1.00 1.11 H new ATOM 0 HB1 ALA A 34 -1.419 -2.819 10.418 1.00 14.41 H new ATOM 0 HB2 ALA A 34 -1.551 -4.418 9.648 1.00 14.41 H new ATOM 0 HB3 ALA A 34 0.033 -3.825 10.203 1.00 14.41 H new ATOM 514 N GLU A 35 1.478 -1.695 8.503 1.00 34.45 N ATOM 515 CA GLU A 35 2.339 -0.516 8.607 1.00 20.23 C ATOM 516 C GLU A 35 2.069 0.455 7.461 1.00 12.11 C ATOM 517 O GLU A 35 1.872 1.644 7.689 1.00 11.21 O ATOM 518 CB GLU A 35 3.816 -0.919 8.589 1.00 63.53 C ATOM 519 CG GLU A 35 4.196 -1.788 9.784 1.00 13.34 C ATOM 520 CD GLU A 35 5.692 -2.046 9.787 1.00 12.13 C ATOM 521 OE1 GLU A 35 6.463 -1.158 10.209 1.00 60.20 O ATOM 522 OE2 GLU A 35 6.130 -3.144 9.379 1.00 54.12 O ATOM 0 H GLU A 35 1.987 -2.574 8.417 1.00 34.45 H new ATOM 0 HA GLU A 35 2.113 -0.025 9.553 1.00 20.23 H new ATOM 0 HB2 GLU A 35 4.031 -1.459 7.667 1.00 63.53 H new ATOM 0 HB3 GLU A 35 4.435 -0.022 8.584 1.00 63.53 H new ATOM 0 HG2 GLU A 35 3.902 -1.294 10.710 1.00 13.34 H new ATOM 0 HG3 GLU A 35 3.656 -2.734 9.742 1.00 13.34 H new ATOM 529 N VAL A 36 2.019 -0.052 6.227 1.00 14.11 N ATOM 530 CA VAL A 36 1.770 0.763 5.037 1.00 2.02 C ATOM 531 C VAL A 36 0.348 1.359 5.041 1.00 31.12 C ATOM 532 O VAL A 36 0.048 2.225 4.223 1.00 62.40 O ATOM 533 CB VAL A 36 2.059 -0.080 3.770 1.00 11.01 C ATOM 534 CG1 VAL A 36 1.880 0.664 2.433 1.00 54.20 C ATOM 535 CG2 VAL A 36 3.507 -0.587 3.787 1.00 73.11 C ATOM 0 H VAL A 36 2.151 -1.043 6.025 1.00 14.11 H new ATOM 0 HA VAL A 36 2.447 1.618 5.040 1.00 2.02 H new ATOM 0 HB VAL A 36 1.322 -0.881 3.815 1.00 11.01 H new ATOM 0 HG11 VAL A 36 2.106 -0.011 1.608 1.00 54.20 H new ATOM 0 HG12 VAL A 36 0.851 1.013 2.346 1.00 54.20 H new ATOM 0 HG13 VAL A 36 2.557 1.518 2.398 1.00 54.20 H new ATOM 0 HG21 VAL A 36 3.696 -1.178 2.891 1.00 73.11 H new ATOM 0 HG22 VAL A 36 4.190 0.262 3.812 1.00 73.11 H new ATOM 0 HG23 VAL A 36 3.665 -1.206 4.670 1.00 73.11 H new ATOM 545 N VAL A 37 -0.563 0.903 5.912 1.00 3.24 N ATOM 546 CA VAL A 37 -1.877 1.529 6.027 1.00 43.44 C ATOM 547 C VAL A 37 -1.729 2.907 6.657 1.00 3.32 C ATOM 548 O VAL A 37 -2.432 3.811 6.214 1.00 11.03 O ATOM 549 CB VAL A 37 -2.879 0.636 6.782 1.00 52.14 C ATOM 550 CG1 VAL A 37 -4.230 1.329 7.005 1.00 20.32 C ATOM 551 CG2 VAL A 37 -3.114 -0.668 6.004 1.00 52.33 C ATOM 0 H VAL A 37 -0.412 0.112 6.538 1.00 3.24 H new ATOM 0 HA VAL A 37 -2.296 1.654 5.029 1.00 43.44 H new ATOM 0 HB VAL A 37 -2.441 0.427 7.758 1.00 52.14 H new ATOM 0 HG11 VAL A 37 -4.900 0.657 7.541 1.00 20.32 H new ATOM 0 HG12 VAL A 37 -4.081 2.236 7.591 1.00 20.32 H new ATOM 0 HG13 VAL A 37 -4.670 1.587 6.042 1.00 20.32 H new ATOM 0 HG21 VAL A 37 -3.824 -1.292 6.546 1.00 52.33 H new ATOM 0 HG22 VAL A 37 -3.515 -0.436 5.017 1.00 52.33 H new ATOM 0 HG23 VAL A 37 -2.170 -1.202 5.896 1.00 52.33 H new ATOM 561 N LYS A 38 -0.875 3.041 7.678 1.00 71.21 N ATOM 562 CA LYS A 38 -0.654 4.220 8.505 1.00 73.42 C ATOM 563 C LYS A 38 -0.142 5.416 7.697 1.00 20.41 C ATOM 564 O LYS A 38 0.130 5.304 6.504 1.00 44.32 O ATOM 565 CB LYS A 38 0.364 3.812 9.583 1.00 23.45 C ATOM 566 CG LYS A 38 0.026 4.419 10.946 1.00 51.31 C ATOM 567 CD LYS A 38 1.124 4.175 11.989 1.00 61.31 C ATOM 568 CE LYS A 38 2.367 5.034 11.701 1.00 73.14 C ATOM 569 NZ LYS A 38 3.387 4.912 12.762 1.00 75.23 N ATOM 0 H LYS A 38 -0.278 2.266 7.965 1.00 71.21 H new ATOM 0 HA LYS A 38 -1.596 4.547 8.945 1.00 73.42 H new ATOM 0 HB2 LYS A 38 0.389 2.725 9.666 1.00 23.45 H new ATOM 0 HB3 LYS A 38 1.361 4.132 9.280 1.00 23.45 H new ATOM 0 HG2 LYS A 38 -0.131 5.492 10.833 1.00 51.31 H new ATOM 0 HG3 LYS A 38 -0.912 3.996 11.306 1.00 51.31 H new ATOM 0 HD2 LYS A 38 0.742 4.406 12.983 1.00 61.31 H new ATOM 0 HD3 LYS A 38 1.400 3.121 11.990 1.00 61.31 H new ATOM 0 HE2 LYS A 38 2.800 4.735 10.747 1.00 73.14 H new ATOM 0 HE3 LYS A 38 2.070 6.078 11.603 1.00 73.14 H new ATOM 0 HZ1 LYS A 38 4.206 5.508 12.526 1.00 75.23 H new ATOM 0 HZ2 LYS A 38 2.983 5.222 13.669 1.00 75.23 H new ATOM 0 HZ3 LYS A 38 3.691 3.920 12.839 1.00 75.23 H new ATOM 583 N ALA A 39 -0.004 6.555 8.380 1.00 41.21 N ATOM 584 CA ALA A 39 0.427 7.863 7.894 1.00 63.20 C ATOM 585 C ALA A 39 -0.533 8.520 6.892 1.00 43.32 C ATOM 586 O ALA A 39 -0.581 9.751 6.844 1.00 35.32 O ATOM 587 CB ALA A 39 1.860 7.813 7.358 1.00 43.31 C ATOM 0 H ALA A 39 -0.211 6.585 9.378 1.00 41.21 H new ATOM 0 HA ALA A 39 0.406 8.515 8.767 1.00 63.20 H new ATOM 0 HB1 ALA A 39 2.151 8.802 7.004 1.00 43.31 H new ATOM 0 HB2 ALA A 39 2.535 7.499 8.154 1.00 43.31 H new ATOM 0 HB3 ALA A 39 1.916 7.102 6.534 1.00 43.31 H new ATOM 593 N ASP A 40 -1.324 7.761 6.134 1.00 63.11 N ATOM 594 CA ASP A 40 -2.276 8.283 5.154 1.00 54.03 C ATOM 595 C ASP A 40 -3.416 9.064 5.803 1.00 0.33 C ATOM 596 O ASP A 40 -3.946 9.972 5.162 1.00 51.40 O ATOM 597 CB ASP A 40 -2.761 7.166 4.209 1.00 14.11 C ATOM 598 CG ASP A 40 -4.153 6.562 4.395 1.00 74.52 C ATOM 599 OD1 ASP A 40 -4.640 6.377 5.532 1.00 21.21 O ATOM 600 OD2 ASP A 40 -4.668 6.049 3.377 1.00 40.40 O ATOM 0 H ASP A 40 -1.320 6.742 6.186 1.00 63.11 H new ATOM 0 HA ASP A 40 -1.751 9.012 4.537 1.00 54.03 H new ATOM 0 HB2 ASP A 40 -2.709 7.556 3.192 1.00 14.11 H new ATOM 0 HB3 ASP A 40 -2.041 6.350 4.275 1.00 14.11 H new ATOM 605 N PHE A 41 -3.722 8.794 7.076 1.00 15.43 N ATOM 606 CA PHE A 41 -4.800 9.437 7.822 1.00 62.13 C ATOM 607 C PHE A 41 -4.313 10.560 8.744 1.00 1.43 C ATOM 608 O PHE A 41 -5.089 11.031 9.579 1.00 60.13 O ATOM 609 CB PHE A 41 -5.679 8.383 8.525 1.00 63.30 C ATOM 610 CG PHE A 41 -5.042 7.315 9.407 1.00 23.44 C ATOM 611 CD1 PHE A 41 -3.775 7.483 9.997 1.00 24.22 C ATOM 612 CD2 PHE A 41 -5.754 6.121 9.632 1.00 72.41 C ATOM 613 CE1 PHE A 41 -3.215 6.455 10.774 1.00 33.12 C ATOM 614 CE2 PHE A 41 -5.199 5.097 10.414 1.00 32.45 C ATOM 615 CZ PHE A 41 -3.922 5.256 10.973 1.00 43.13 C ATOM 0 H PHE A 41 -3.212 8.104 7.627 1.00 15.43 H new ATOM 0 HA PHE A 41 -5.439 9.951 7.104 1.00 62.13 H new ATOM 0 HB2 PHE A 41 -6.399 8.922 9.140 1.00 63.30 H new ATOM 0 HB3 PHE A 41 -6.245 7.866 7.750 1.00 63.30 H new ATOM 0 HD1 PHE A 41 -3.232 8.405 9.852 1.00 24.22 H new ATOM 0 HD2 PHE A 41 -6.735 5.993 9.199 1.00 72.41 H new ATOM 0 HE1 PHE A 41 -2.240 6.586 11.219 1.00 33.12 H new ATOM 0 HE2 PHE A 41 -5.754 4.187 10.586 1.00 32.45 H new ATOM 0 HZ PHE A 41 -3.483 4.459 11.555 1.00 43.13 H new ATOM 625 N GLU A 42 -3.041 10.963 8.651 1.00 15.15 N ATOM 626 CA GLU A 42 -2.449 11.936 9.567 1.00 53.02 C ATOM 627 C GLU A 42 -1.451 12.874 8.880 1.00 44.40 C ATOM 628 O GLU A 42 -1.549 14.087 9.075 1.00 41.01 O ATOM 629 CB GLU A 42 -1.876 11.232 10.811 1.00 32.13 C ATOM 630 CG GLU A 42 -0.871 10.116 10.500 1.00 11.22 C ATOM 631 CD GLU A 42 -0.441 9.370 11.760 1.00 64.33 C ATOM 632 OE1 GLU A 42 -1.284 8.717 12.418 1.00 44.10 O ATOM 633 OE2 GLU A 42 0.770 9.428 12.068 1.00 71.11 O ATOM 0 H GLU A 42 -2.396 10.622 7.938 1.00 15.15 H new ATOM 0 HA GLU A 42 -3.246 12.594 9.912 1.00 53.02 H new ATOM 0 HB2 GLU A 42 -1.391 11.976 11.443 1.00 32.13 H new ATOM 0 HB3 GLU A 42 -2.700 10.812 11.388 1.00 32.13 H new ATOM 0 HG2 GLU A 42 -1.316 9.413 9.796 1.00 11.22 H new ATOM 0 HG3 GLU A 42 0.006 10.543 10.013 1.00 11.22 H new ATOM 640 N GLU A 43 -0.517 12.378 8.061 1.00 73.33 N ATOM 641 CA GLU A 43 0.328 13.256 7.245 1.00 71.50 C ATOM 642 C GLU A 43 -0.522 13.888 6.131 1.00 63.32 C ATOM 643 O GLU A 43 -1.683 13.517 5.941 1.00 43.00 O ATOM 644 CB GLU A 43 1.562 12.493 6.714 1.00 0.12 C ATOM 645 CG GLU A 43 2.871 12.985 7.352 1.00 43.40 C ATOM 646 CD GLU A 43 3.449 14.253 6.715 1.00 32.13 C ATOM 647 OE1 GLU A 43 2.718 15.261 6.578 1.00 60.21 O ATOM 648 OE2 GLU A 43 4.665 14.278 6.416 1.00 20.34 O ATOM 0 H GLU A 43 -0.328 11.382 7.946 1.00 73.33 H new ATOM 0 HA GLU A 43 0.722 14.069 7.855 1.00 71.50 H new ATOM 0 HB2 GLU A 43 1.441 11.428 6.913 1.00 0.12 H new ATOM 0 HB3 GLU A 43 1.621 12.610 5.632 1.00 0.12 H new ATOM 0 HG2 GLU A 43 2.696 13.173 8.411 1.00 43.40 H new ATOM 0 HG3 GLU A 43 3.614 12.190 7.287 1.00 43.40 H new ATOM 655 N ALA A 44 0.043 14.864 5.416 1.00 65.30 N ATOM 656 CA ALA A 44 -0.644 15.841 4.568 1.00 44.04 C ATOM 657 C ALA A 44 -1.229 15.278 3.253 1.00 62.20 C ATOM 658 O ALA A 44 -1.272 15.979 2.236 1.00 5.04 O ATOM 659 CB ALA A 44 0.335 16.993 4.300 1.00 13.22 C ATOM 0 H ALA A 44 1.054 15.001 5.414 1.00 65.30 H new ATOM 0 HA ALA A 44 -1.527 16.182 5.109 1.00 44.04 H new ATOM 0 HB1 ALA A 44 -0.146 17.740 3.669 1.00 13.22 H new ATOM 0 HB2 ALA A 44 0.627 17.450 5.246 1.00 13.22 H new ATOM 0 HB3 ALA A 44 1.221 16.608 3.795 1.00 13.22 H new ATOM 665 N GLY A 45 -1.681 14.031 3.237 1.00 12.12 N ATOM 666 CA GLY A 45 -2.113 13.262 2.082 1.00 34.55 C ATOM 667 C GLY A 45 -1.354 11.944 2.109 1.00 5.44 C ATOM 668 O GLY A 45 -0.686 11.639 3.097 1.00 45.14 O ATOM 0 H GLY A 45 -1.760 13.491 4.099 1.00 12.12 H new ATOM 0 HA2 GLY A 45 -3.188 13.087 2.117 1.00 34.55 H new ATOM 0 HA3 GLY A 45 -1.908 13.805 1.160 1.00 34.55 H new ATOM 672 N HIS A 46 -1.381 11.182 1.017 1.00 52.32 N ATOM 673 CA HIS A 46 -0.632 9.932 0.867 1.00 42.04 C ATOM 674 C HIS A 46 0.897 10.117 0.891 1.00 31.25 C ATOM 675 O HIS A 46 1.625 9.148 0.688 1.00 61.23 O ATOM 676 CB HIS A 46 -1.026 9.238 -0.449 1.00 33.43 C ATOM 677 CG HIS A 46 -2.509 9.228 -0.728 1.00 25.12 C ATOM 678 ND1 HIS A 46 -3.212 10.144 -1.479 1.00 5.52 N ATOM 679 CD2 HIS A 46 -3.404 8.310 -0.261 1.00 30.01 C ATOM 680 CE1 HIS A 46 -4.509 9.803 -1.437 1.00 31.33 C ATOM 681 NE2 HIS A 46 -4.671 8.673 -0.734 1.00 50.12 N ATOM 0 H HIS A 46 -1.935 11.420 0.194 1.00 52.32 H new ATOM 0 HA HIS A 46 -0.896 9.320 1.730 1.00 42.04 H new ATOM 0 HB2 HIS A 46 -0.517 9.735 -1.275 1.00 33.43 H new ATOM 0 HB3 HIS A 46 -0.666 8.209 -0.425 1.00 33.43 H new ATOM 0 HD2 HIS A 46 -3.176 7.457 0.361 1.00 30.01 H new ATOM 0 HE1 HIS A 46 -5.309 10.360 -1.903 1.00 31.33 H new ATOM 0 HE2 HIS A 46 -5.547 8.175 -0.575 1.00 50.12 H new ATOM 689 N GLU A 47 1.414 11.339 1.049 1.00 74.11 N ATOM 690 CA GLU A 47 2.809 11.629 0.752 1.00 63.44 C ATOM 691 C GLU A 47 3.786 10.830 1.626 1.00 50.23 C ATOM 692 O GLU A 47 4.827 10.387 1.129 1.00 23.13 O ATOM 693 CB GLU A 47 3.068 13.145 0.780 1.00 73.54 C ATOM 694 CG GLU A 47 3.046 13.828 2.157 1.00 13.12 C ATOM 695 CD GLU A 47 3.693 15.212 2.058 1.00 45.10 C ATOM 696 OE1 GLU A 47 3.047 16.141 1.527 1.00 70.44 O ATOM 697 OE2 GLU A 47 4.883 15.341 2.439 1.00 50.12 O ATOM 0 H GLU A 47 0.881 12.142 1.382 1.00 74.11 H new ATOM 0 HA GLU A 47 3.006 11.288 -0.264 1.00 63.44 H new ATOM 0 HB2 GLU A 47 4.040 13.332 0.324 1.00 73.54 H new ATOM 0 HB3 GLU A 47 2.322 13.629 0.149 1.00 73.54 H new ATOM 0 HG2 GLU A 47 2.019 13.921 2.511 1.00 13.12 H new ATOM 0 HG3 GLU A 47 3.580 13.218 2.885 1.00 13.12 H new ATOM 704 N ASP A 48 3.438 10.583 2.892 1.00 44.04 N ATOM 705 CA ASP A 48 4.282 9.843 3.823 1.00 4.13 C ATOM 706 C ASP A 48 4.042 8.338 3.700 1.00 14.23 C ATOM 707 O ASP A 48 4.961 7.572 3.954 1.00 0.14 O ATOM 708 CB ASP A 48 4.093 10.361 5.254 1.00 61.20 C ATOM 709 CG ASP A 48 5.079 9.755 6.260 1.00 21.34 C ATOM 710 OD1 ASP A 48 6.263 9.555 5.907 1.00 42.40 O ATOM 711 OD2 ASP A 48 4.716 9.562 7.445 1.00 62.13 O ATOM 0 H ASP A 48 2.556 10.895 3.299 1.00 44.04 H new ATOM 0 HA ASP A 48 5.327 10.012 3.562 1.00 4.13 H new ATOM 0 HB2 ASP A 48 4.204 11.445 5.257 1.00 61.20 H new ATOM 0 HB3 ASP A 48 3.075 10.144 5.579 1.00 61.20 H new ATOM 716 N VAL A 49 2.898 7.888 3.162 1.00 62.32 N ATOM 717 CA VAL A 49 2.721 6.493 2.726 1.00 55.44 C ATOM 718 C VAL A 49 3.815 6.147 1.723 1.00 51.44 C ATOM 719 O VAL A 49 4.357 5.040 1.752 1.00 4.02 O ATOM 720 CB VAL A 49 1.339 6.248 2.072 1.00 20.51 C ATOM 721 CG1 VAL A 49 1.120 4.770 1.699 1.00 71.32 C ATOM 722 CG2 VAL A 49 0.193 6.683 2.977 1.00 4.31 C ATOM 0 H VAL A 49 2.076 8.474 3.018 1.00 62.32 H new ATOM 0 HA VAL A 49 2.782 5.859 3.610 1.00 55.44 H new ATOM 0 HB VAL A 49 1.341 6.853 1.165 1.00 20.51 H new ATOM 0 HG11 VAL A 49 0.137 4.651 1.244 1.00 71.32 H new ATOM 0 HG12 VAL A 49 1.887 4.456 0.992 1.00 71.32 H new ATOM 0 HG13 VAL A 49 1.181 4.155 2.597 1.00 71.32 H new ATOM 0 HG21 VAL A 49 -0.757 6.493 2.478 1.00 4.31 H new ATOM 0 HG22 VAL A 49 0.232 6.120 3.910 1.00 4.31 H new ATOM 0 HG23 VAL A 49 0.283 7.748 3.192 1.00 4.31 H new ATOM 732 N MET A 50 4.129 7.072 0.811 1.00 4.21 N ATOM 733 CA MET A 50 5.124 6.802 -0.211 1.00 3.44 C ATOM 734 C MET A 50 6.501 6.733 0.439 1.00 63.43 C ATOM 735 O MET A 50 7.237 5.792 0.156 1.00 20.43 O ATOM 736 CB MET A 50 5.053 7.814 -1.361 1.00 44.30 C ATOM 737 CG MET A 50 3.637 8.038 -1.918 1.00 24.13 C ATOM 738 SD MET A 50 2.498 6.613 -2.035 1.00 73.13 S ATOM 739 CE MET A 50 3.407 5.487 -3.110 1.00 65.04 C ATOM 0 H MET A 50 3.710 8.001 0.765 1.00 4.21 H new ATOM 0 HA MET A 50 4.917 5.835 -0.670 1.00 3.44 H new ATOM 0 HB2 MET A 50 5.450 8.768 -1.015 1.00 44.30 H new ATOM 0 HB3 MET A 50 5.700 7.474 -2.170 1.00 44.30 H new ATOM 0 HG2 MET A 50 3.155 8.795 -1.299 1.00 24.13 H new ATOM 0 HG3 MET A 50 3.739 8.461 -2.917 1.00 24.13 H new ATOM 0 HE1 MET A 50 2.708 4.958 -3.758 1.00 65.04 H new ATOM 0 HE2 MET A 50 4.109 6.054 -3.721 1.00 65.04 H new ATOM 0 HE3 MET A 50 3.954 4.766 -2.502 1.00 65.04 H new ATOM 749 N ARG A 51 6.842 7.646 1.357 1.00 61.40 N ATOM 750 CA ARG A 51 8.071 7.562 2.127 1.00 1.45 C ATOM 751 C ARG A 51 8.143 6.264 2.930 1.00 15.44 C ATOM 752 O ARG A 51 9.230 5.702 3.062 1.00 63.13 O ATOM 753 CB ARG A 51 8.116 8.740 3.094 1.00 64.13 C ATOM 754 CG ARG A 51 8.145 10.135 2.458 1.00 61.31 C ATOM 755 CD ARG A 51 8.236 11.134 3.612 1.00 74.21 C ATOM 756 NE ARG A 51 8.243 12.537 3.192 1.00 50.42 N ATOM 757 CZ ARG A 51 9.309 13.260 2.851 1.00 31.25 C ATOM 758 NH1 ARG A 51 10.488 12.672 2.652 1.00 21.42 N ATOM 759 NH2 ARG A 51 9.196 14.574 2.682 1.00 11.24 N ATOM 0 H ARG A 51 6.269 8.460 1.580 1.00 61.40 H new ATOM 0 HA ARG A 51 8.914 7.583 1.437 1.00 1.45 H new ATOM 0 HB2 ARG A 51 7.247 8.680 3.749 1.00 64.13 H new ATOM 0 HB3 ARG A 51 8.998 8.632 3.725 1.00 64.13 H new ATOM 0 HG2 ARG A 51 8.998 10.238 1.787 1.00 61.31 H new ATOM 0 HG3 ARG A 51 7.248 10.309 1.863 1.00 61.31 H new ATOM 0 HD2 ARG A 51 7.394 10.972 4.285 1.00 74.21 H new ATOM 0 HD3 ARG A 51 9.143 10.932 4.182 1.00 74.21 H new ATOM 0 HE ARG A 51 7.339 13.009 3.157 1.00 50.42 H new ATOM 0 HH11 ARG A 51 10.579 11.662 2.760 1.00 21.42 H new ATOM 0 HH12 ARG A 51 11.300 13.232 2.391 1.00 21.42 H new ATOM 0 HH21 ARG A 51 8.293 15.029 2.813 1.00 11.24 H new ATOM 0 HH22 ARG A 51 10.013 15.127 2.421 1.00 11.24 H new ATOM 773 N LYS A 52 7.010 5.775 3.444 1.00 53.12 N ATOM 774 CA LYS A 52 6.933 4.574 4.262 1.00 32.51 C ATOM 775 C LYS A 52 7.511 3.394 3.504 1.00 24.14 C ATOM 776 O LYS A 52 8.247 2.610 4.100 1.00 43.31 O ATOM 777 CB LYS A 52 5.482 4.333 4.739 1.00 71.40 C ATOM 778 CG LYS A 52 5.350 3.553 6.058 1.00 62.23 C ATOM 779 CD LYS A 52 5.628 2.042 5.952 1.00 43.24 C ATOM 780 CE LYS A 52 6.625 1.540 7.004 1.00 51.11 C ATOM 781 NZ LYS A 52 7.977 2.138 6.867 1.00 13.02 N ATOM 0 H LYS A 52 6.103 6.218 3.296 1.00 53.12 H new ATOM 0 HA LYS A 52 7.535 4.703 5.161 1.00 32.51 H new ATOM 0 HB2 LYS A 52 4.989 5.298 4.855 1.00 71.40 H new ATOM 0 HB3 LYS A 52 4.945 3.792 3.960 1.00 71.40 H new ATOM 0 HG2 LYS A 52 6.037 3.983 6.787 1.00 62.23 H new ATOM 0 HG3 LYS A 52 4.342 3.695 6.447 1.00 62.23 H new ATOM 0 HD2 LYS A 52 4.690 1.497 6.060 1.00 43.24 H new ATOM 0 HD3 LYS A 52 6.014 1.818 4.958 1.00 43.24 H new ATOM 0 HE2 LYS A 52 6.236 1.763 7.998 1.00 51.11 H new ATOM 0 HE3 LYS A 52 6.706 0.456 6.929 1.00 51.11 H new ATOM 0 HZ1 LYS A 52 8.698 1.406 7.025 1.00 13.02 H new ATOM 0 HZ2 LYS A 52 8.087 2.532 5.911 1.00 13.02 H new ATOM 0 HZ3 LYS A 52 8.094 2.896 7.569 1.00 13.02 H new ATOM 795 N VAL A 53 7.176 3.249 2.223 1.00 0.33 N ATOM 796 CA VAL A 53 7.640 2.135 1.414 1.00 42.31 C ATOM 797 C VAL A 53 8.941 2.458 0.680 1.00 1.41 C ATOM 798 O VAL A 53 9.719 1.541 0.425 1.00 55.24 O ATOM 799 CB VAL A 53 6.527 1.701 0.445 1.00 51.23 C ATOM 800 CG1 VAL A 53 5.359 1.079 1.219 1.00 44.13 C ATOM 801 CG2 VAL A 53 6.014 2.821 -0.479 1.00 44.51 C ATOM 0 H VAL A 53 6.575 3.903 1.721 1.00 0.33 H new ATOM 0 HA VAL A 53 7.870 1.301 2.077 1.00 42.31 H new ATOM 0 HB VAL A 53 6.983 0.960 -0.211 1.00 51.23 H new ATOM 0 HG11 VAL A 53 4.579 0.777 0.520 1.00 44.13 H new ATOM 0 HG12 VAL A 53 5.711 0.207 1.769 1.00 44.13 H new ATOM 0 HG13 VAL A 53 4.955 1.811 1.919 1.00 44.13 H new ATOM 0 HG21 VAL A 53 5.232 2.427 -1.128 1.00 44.51 H new ATOM 0 HG22 VAL A 53 5.610 3.634 0.124 1.00 44.51 H new ATOM 0 HG23 VAL A 53 6.837 3.195 -1.088 1.00 44.51 H new ATOM 811 N LEU A 54 9.186 3.715 0.297 1.00 33.55 N ATOM 812 CA LEU A 54 10.366 4.092 -0.474 1.00 2.22 C ATOM 813 C LEU A 54 11.606 4.093 0.419 1.00 2.03 C ATOM 814 O LEU A 54 12.681 3.718 -0.050 1.00 23.32 O ATOM 815 CB LEU A 54 10.152 5.464 -1.138 1.00 70.24 C ATOM 816 CG LEU A 54 9.199 5.445 -2.354 1.00 74.21 C ATOM 817 CD1 LEU A 54 8.830 6.877 -2.763 1.00 21.15 C ATOM 818 CD2 LEU A 54 9.819 4.744 -3.571 1.00 64.20 C ATOM 0 H LEU A 54 8.569 4.497 0.515 1.00 33.55 H new ATOM 0 HA LEU A 54 10.524 3.358 -1.264 1.00 2.22 H new ATOM 0 HB2 LEU A 54 9.758 6.156 -0.394 1.00 70.24 H new ATOM 0 HB3 LEU A 54 11.119 5.855 -1.456 1.00 70.24 H new ATOM 0 HG LEU A 54 8.313 4.890 -2.045 1.00 74.21 H new ATOM 0 HD11 LEU A 54 8.158 6.849 -3.621 1.00 21.15 H new ATOM 0 HD12 LEU A 54 8.335 7.377 -1.931 1.00 21.15 H new ATOM 0 HD13 LEU A 54 9.735 7.424 -3.028 1.00 21.15 H new ATOM 0 HD21 LEU A 54 9.110 4.757 -4.399 1.00 64.20 H new ATOM 0 HD22 LEU A 54 10.730 5.264 -3.865 1.00 64.20 H new ATOM 0 HD23 LEU A 54 10.058 3.712 -3.314 1.00 64.20 H new ATOM 830 N GLY A 55 11.464 4.479 1.690 1.00 14.45 N ATOM 831 CA GLY A 55 12.536 4.401 2.667 1.00 31.34 C ATOM 832 C GLY A 55 12.821 2.944 3.017 1.00 13.11 C ATOM 833 O GLY A 55 13.984 2.555 3.078 1.00 23.14 O ATOM 0 H GLY A 55 10.594 4.856 2.065 1.00 14.45 H new ATOM 0 HA2 GLY A 55 13.436 4.870 2.269 1.00 31.34 H new ATOM 0 HA3 GLY A 55 12.260 4.952 3.566 1.00 31.34 H new ATOM 837 N ASP A 56 11.779 2.126 3.220 1.00 52.43 N ATOM 838 CA ASP A 56 11.947 0.720 3.605 1.00 34.14 C ATOM 839 C ASP A 56 12.526 -0.113 2.468 1.00 71.30 C ATOM 840 O ASP A 56 13.302 -1.027 2.726 1.00 43.34 O ATOM 841 CB ASP A 56 10.620 0.093 4.060 1.00 62.44 C ATOM 842 CG ASP A 56 10.621 -0.187 5.558 1.00 55.40 C ATOM 843 OD1 ASP A 56 10.443 0.773 6.345 1.00 24.21 O ATOM 844 OD2 ASP A 56 10.730 -1.369 5.944 1.00 62.31 O ATOM 0 H ASP A 56 10.806 2.417 3.123 1.00 52.43 H new ATOM 0 HA ASP A 56 12.648 0.716 4.440 1.00 34.14 H new ATOM 0 HB2 ASP A 56 9.796 0.763 3.814 1.00 62.44 H new ATOM 0 HB3 ASP A 56 10.449 -0.835 3.515 1.00 62.44 H new ATOM 849 N LEU A 57 12.173 0.187 1.209 1.00 31.43 N ATOM 850 CA LEU A 57 12.818 -0.456 0.068 1.00 60.22 C ATOM 851 C LEU A 57 14.301 -0.143 0.052 1.00 2.43 C ATOM 852 O LEU A 57 15.065 -0.965 -0.446 1.00 35.41 O ATOM 853 CB LEU A 57 12.241 0.011 -1.277 1.00 12.11 C ATOM 854 CG LEU A 57 10.997 -0.743 -1.765 1.00 52.42 C ATOM 855 CD1 LEU A 57 10.622 -0.109 -3.116 1.00 62.31 C ATOM 856 CD2 LEU A 57 11.224 -2.228 -2.065 1.00 75.42 C ATOM 0 H LEU A 57 11.451 0.864 0.963 1.00 31.43 H new ATOM 0 HA LEU A 57 12.637 -1.524 0.185 1.00 60.22 H new ATOM 0 HB2 LEU A 57 11.994 1.070 -1.197 1.00 12.11 H new ATOM 0 HB3 LEU A 57 13.018 -0.079 -2.036 1.00 12.11 H new ATOM 0 HG LEU A 57 10.249 -0.674 -0.975 1.00 52.42 H new ATOM 0 HD11 LEU A 57 9.738 -0.605 -3.518 1.00 62.31 H new ATOM 0 HD12 LEU A 57 10.410 0.951 -2.974 1.00 62.31 H new ATOM 0 HD13 LEU A 57 11.451 -0.223 -3.814 1.00 62.31 H new ATOM 0 HD21 LEU A 57 10.291 -2.678 -2.403 1.00 75.42 H new ATOM 0 HD22 LEU A 57 11.979 -2.330 -2.844 1.00 75.42 H new ATOM 0 HD23 LEU A 57 11.564 -2.734 -1.161 1.00 75.42 H new ATOM 868 N ASP A 58 14.704 1.033 0.537 1.00 32.15 N ATOM 869 CA ASP A 58 16.097 1.441 0.702 1.00 3.33 C ATOM 870 C ASP A 58 16.796 1.710 -0.634 1.00 53.03 C ATOM 871 O ASP A 58 17.989 1.997 -0.659 1.00 44.30 O ATOM 872 CB ASP A 58 16.837 0.379 1.527 1.00 63.12 C ATOM 873 CG ASP A 58 18.027 0.941 2.281 1.00 42.20 C ATOM 874 OD1 ASP A 58 17.811 1.492 3.386 1.00 13.34 O ATOM 875 OD2 ASP A 58 19.179 0.664 1.895 1.00 72.33 O ATOM 0 H ASP A 58 14.045 1.752 0.836 1.00 32.15 H new ATOM 0 HA ASP A 58 16.115 2.391 1.237 1.00 3.33 H new ATOM 0 HB2 ASP A 58 16.143 -0.071 2.237 1.00 63.12 H new ATOM 0 HB3 ASP A 58 17.176 -0.417 0.864 1.00 63.12 H new ATOM 880 N GLY A 59 16.067 1.630 -1.752 1.00 52.42 N ATOM 881 CA GLY A 59 16.597 1.644 -3.109 1.00 54.14 C ATOM 882 C GLY A 59 16.496 0.286 -3.809 1.00 35.15 C ATOM 883 O GLY A 59 17.147 0.087 -4.833 1.00 61.40 O ATOM 0 H GLY A 59 15.050 1.551 -1.729 1.00 52.42 H new ATOM 0 HA2 GLY A 59 16.058 2.389 -3.695 1.00 54.14 H new ATOM 0 HA3 GLY A 59 17.641 1.955 -3.081 1.00 54.14 H new ATOM 887 N LYS A 60 15.716 -0.673 -3.286 1.00 35.44 N ATOM 888 CA LYS A 60 15.526 -1.987 -3.911 1.00 54.50 C ATOM 889 C LYS A 60 14.856 -1.919 -5.284 1.00 52.40 C ATOM 890 O LYS A 60 15.070 -2.835 -6.079 1.00 23.35 O ATOM 891 CB LYS A 60 14.694 -2.903 -3.010 1.00 62.20 C ATOM 892 CG LYS A 60 15.515 -3.956 -2.255 1.00 31.41 C ATOM 893 CD LYS A 60 14.567 -4.967 -1.587 1.00 13.42 C ATOM 894 CE LYS A 60 15.314 -6.136 -0.928 1.00 13.30 C ATOM 895 NZ LYS A 60 15.512 -7.299 -1.820 1.00 20.33 N ATOM 0 H LYS A 60 15.199 -0.556 -2.415 1.00 35.44 H new ATOM 0 HA LYS A 60 16.530 -2.389 -4.048 1.00 54.50 H new ATOM 0 HB2 LYS A 60 14.156 -2.291 -2.286 1.00 62.20 H new ATOM 0 HB3 LYS A 60 13.945 -3.410 -3.618 1.00 62.20 H new ATOM 0 HG2 LYS A 60 16.186 -4.471 -2.943 1.00 31.41 H new ATOM 0 HG3 LYS A 60 16.139 -3.474 -1.502 1.00 31.41 H new ATOM 0 HD2 LYS A 60 13.968 -4.454 -0.835 1.00 13.42 H new ATOM 0 HD3 LYS A 60 13.875 -5.358 -2.333 1.00 13.42 H new ATOM 0 HE2 LYS A 60 16.287 -5.785 -0.584 1.00 13.30 H new ATOM 0 HE3 LYS A 60 14.760 -6.457 -0.046 1.00 13.30 H new ATOM 0 HZ1 LYS A 60 15.882 -8.100 -1.269 1.00 20.33 H new ATOM 0 HZ2 LYS A 60 14.603 -7.565 -2.250 1.00 20.33 H new ATOM 0 HZ3 LYS A 60 16.190 -7.051 -2.569 1.00 20.33 H new ATOM 909 N ARG A 61 13.967 -0.952 -5.527 1.00 63.23 N ATOM 910 CA ARG A 61 13.277 -0.799 -6.807 1.00 41.20 C ATOM 911 C ARG A 61 13.161 0.683 -7.130 1.00 14.43 C ATOM 912 O ARG A 61 13.091 1.486 -6.195 1.00 25.35 O ATOM 913 CB ARG A 61 11.876 -1.456 -6.781 1.00 61.24 C ATOM 914 CG ARG A 61 11.883 -2.981 -6.952 1.00 25.45 C ATOM 915 CD ARG A 61 12.433 -3.412 -8.317 1.00 13.15 C ATOM 916 NE ARG A 61 12.428 -4.874 -8.451 1.00 65.23 N ATOM 917 CZ ARG A 61 12.043 -5.578 -9.520 1.00 22.10 C ATOM 918 NH1 ARG A 61 11.647 -4.989 -10.643 1.00 10.51 N ATOM 919 NH2 ARG A 61 12.040 -6.899 -9.447 1.00 34.10 N ATOM 0 H ARG A 61 13.705 -0.250 -4.835 1.00 63.23 H new ATOM 0 HA ARG A 61 13.856 -1.305 -7.580 1.00 41.20 H new ATOM 0 HB2 ARG A 61 11.392 -1.212 -5.835 1.00 61.24 H new ATOM 0 HB3 ARG A 61 11.269 -1.017 -7.573 1.00 61.24 H new ATOM 0 HG2 ARG A 61 12.485 -3.430 -6.162 1.00 25.45 H new ATOM 0 HG3 ARG A 61 10.868 -3.362 -6.835 1.00 25.45 H new ATOM 0 HD2 ARG A 61 11.832 -2.969 -9.111 1.00 13.15 H new ATOM 0 HD3 ARG A 61 13.449 -3.036 -8.438 1.00 13.15 H new ATOM 0 HE ARG A 61 12.752 -5.408 -7.645 1.00 65.23 H new ATOM 0 HH11 ARG A 61 11.631 -3.971 -10.707 1.00 10.51 H new ATOM 0 HH12 ARG A 61 11.359 -5.555 -11.441 1.00 10.51 H new ATOM 0 HH21 ARG A 61 12.328 -7.363 -8.585 1.00 34.10 H new ATOM 0 HH22 ARG A 61 11.749 -7.454 -10.252 1.00 34.10 H new ATOM 933 N PRO A 62 13.041 1.047 -8.414 1.00 45.22 N ATOM 934 CA PRO A 62 12.908 2.433 -8.814 1.00 70.40 C ATOM 935 C PRO A 62 11.587 2.996 -8.322 1.00 52.41 C ATOM 936 O PRO A 62 10.572 2.293 -8.313 1.00 61.00 O ATOM 937 CB PRO A 62 12.941 2.438 -10.341 1.00 3.55 C ATOM 938 CG PRO A 62 12.659 0.999 -10.758 1.00 61.41 C ATOM 939 CD PRO A 62 13.084 0.163 -9.566 1.00 54.11 C ATOM 0 HA PRO A 62 13.705 3.046 -8.393 1.00 70.40 H new ATOM 0 HB2 PRO A 62 12.193 3.118 -10.748 1.00 3.55 H new ATOM 0 HB3 PRO A 62 13.910 2.771 -10.712 1.00 3.55 H new ATOM 0 HG2 PRO A 62 11.604 0.853 -10.988 1.00 61.41 H new ATOM 0 HG3 PRO A 62 13.221 0.728 -11.652 1.00 61.41 H new ATOM 0 HD2 PRO A 62 12.416 -0.687 -9.429 1.00 54.11 H new ATOM 0 HD3 PRO A 62 14.087 -0.239 -9.711 1.00 54.11 H new ATOM 947 N GLU A 63 11.579 4.296 -8.023 1.00 45.13 N ATOM 948 CA GLU A 63 10.384 5.016 -7.635 1.00 14.34 C ATOM 949 C GLU A 63 9.274 4.810 -8.669 1.00 22.12 C ATOM 950 O GLU A 63 8.145 4.544 -8.272 1.00 31.21 O ATOM 951 CB GLU A 63 10.703 6.500 -7.389 1.00 70.40 C ATOM 952 CG GLU A 63 9.437 7.248 -6.938 1.00 72.04 C ATOM 953 CD GLU A 63 9.673 8.695 -6.512 1.00 70.03 C ATOM 954 OE1 GLU A 63 10.502 9.399 -7.130 1.00 44.34 O ATOM 955 OE2 GLU A 63 8.951 9.136 -5.588 1.00 1.24 O ATOM 0 H GLU A 63 12.417 4.878 -8.046 1.00 45.13 H new ATOM 0 HA GLU A 63 10.014 4.615 -6.692 1.00 14.34 H new ATOM 0 HB2 GLU A 63 11.479 6.592 -6.629 1.00 70.40 H new ATOM 0 HB3 GLU A 63 11.095 6.951 -8.300 1.00 70.40 H new ATOM 0 HG2 GLU A 63 8.714 7.236 -7.753 1.00 72.04 H new ATOM 0 HG3 GLU A 63 8.988 6.706 -6.106 1.00 72.04 H new ATOM 962 N ALA A 64 9.566 4.856 -9.972 1.00 23.43 N ATOM 963 CA ALA A 64 8.541 4.724 -10.999 1.00 13.13 C ATOM 964 C ALA A 64 7.793 3.389 -10.915 1.00 30.23 C ATOM 965 O ALA A 64 6.573 3.381 -11.094 1.00 65.21 O ATOM 966 CB ALA A 64 9.159 4.902 -12.389 1.00 32.41 C ATOM 0 H ALA A 64 10.510 4.984 -10.337 1.00 23.43 H new ATOM 0 HA ALA A 64 7.808 5.511 -10.824 1.00 13.13 H new ATOM 0 HB1 ALA A 64 8.383 4.801 -13.148 1.00 32.41 H new ATOM 0 HB2 ALA A 64 9.612 5.891 -12.462 1.00 32.41 H new ATOM 0 HB3 ALA A 64 9.923 4.141 -12.548 1.00 32.41 H new ATOM 972 N GLU A 65 8.480 2.276 -10.626 1.00 73.42 N ATOM 973 CA GLU A 65 7.830 0.978 -10.486 1.00 4.45 C ATOM 974 C GLU A 65 6.845 1.008 -9.314 1.00 25.04 C ATOM 975 O GLU A 65 5.709 0.550 -9.456 1.00 10.44 O ATOM 976 CB GLU A 65 8.888 -0.140 -10.369 1.00 22.45 C ATOM 977 CG GLU A 65 8.244 -1.527 -10.505 1.00 62.41 C ATOM 978 CD GLU A 65 9.223 -2.708 -10.595 1.00 10.25 C ATOM 979 OE1 GLU A 65 10.320 -2.605 -11.183 1.00 43.42 O ATOM 980 OE2 GLU A 65 8.842 -3.820 -10.141 1.00 62.32 O ATOM 0 H GLU A 65 9.490 2.255 -10.485 1.00 73.42 H new ATOM 0 HA GLU A 65 7.246 0.756 -11.379 1.00 4.45 H new ATOM 0 HB2 GLU A 65 9.646 -0.010 -11.142 1.00 22.45 H new ATOM 0 HB3 GLU A 65 9.397 -0.064 -9.408 1.00 22.45 H new ATOM 0 HG2 GLU A 65 7.586 -1.688 -9.651 1.00 62.41 H new ATOM 0 HG3 GLU A 65 7.616 -1.530 -11.396 1.00 62.41 H new ATOM 987 N VAL A 66 7.268 1.592 -8.187 1.00 25.31 N ATOM 988 CA VAL A 66 6.473 1.772 -6.974 1.00 10.33 C ATOM 989 C VAL A 66 5.248 2.644 -7.275 1.00 70.23 C ATOM 990 O VAL A 66 4.130 2.275 -6.910 1.00 11.35 O ATOM 991 CB VAL A 66 7.354 2.389 -5.862 1.00 44.52 C ATOM 992 CG1 VAL A 66 6.604 2.546 -4.534 1.00 21.11 C ATOM 993 CG2 VAL A 66 8.637 1.578 -5.616 1.00 43.31 C ATOM 0 H VAL A 66 8.212 1.966 -8.095 1.00 25.31 H new ATOM 0 HA VAL A 66 6.113 0.805 -6.622 1.00 10.33 H new ATOM 0 HB VAL A 66 7.623 3.379 -6.231 1.00 44.52 H new ATOM 0 HG11 VAL A 66 7.270 2.983 -3.790 1.00 21.11 H new ATOM 0 HG12 VAL A 66 5.742 3.198 -4.678 1.00 21.11 H new ATOM 0 HG13 VAL A 66 6.266 1.569 -4.189 1.00 21.11 H new ATOM 0 HG21 VAL A 66 9.221 2.052 -4.827 1.00 43.31 H new ATOM 0 HG22 VAL A 66 8.374 0.564 -5.314 1.00 43.31 H new ATOM 0 HG23 VAL A 66 9.226 1.543 -6.532 1.00 43.31 H new ATOM 1003 N ARG A 67 5.451 3.779 -7.956 1.00 32.35 N ATOM 1004 CA ARG A 67 4.410 4.744 -8.307 1.00 21.12 C ATOM 1005 C ARG A 67 3.319 4.014 -9.060 1.00 31.15 C ATOM 1006 O ARG A 67 2.192 3.937 -8.579 1.00 22.11 O ATOM 1007 CB ARG A 67 4.994 5.874 -9.179 1.00 44.42 C ATOM 1008 CG ARG A 67 6.019 6.750 -8.451 1.00 3.44 C ATOM 1009 CD ARG A 67 5.412 8.064 -7.963 1.00 25.13 C ATOM 1010 NE ARG A 67 6.141 8.638 -6.814 1.00 72.12 N ATOM 1011 CZ ARG A 67 5.600 9.174 -5.711 1.00 24.01 C ATOM 1012 NH1 ARG A 67 4.284 9.234 -5.532 1.00 44.34 N ATOM 1013 NH2 ARG A 67 6.409 9.652 -4.778 1.00 65.22 N ATOM 0 H ARG A 67 6.375 4.057 -8.287 1.00 32.35 H new ATOM 0 HA ARG A 67 4.003 5.195 -7.402 1.00 21.12 H new ATOM 0 HB2 ARG A 67 5.465 5.435 -10.059 1.00 44.42 H new ATOM 0 HB3 ARG A 67 4.179 6.504 -9.535 1.00 44.42 H new ATOM 0 HG2 ARG A 67 6.425 6.201 -7.601 1.00 3.44 H new ATOM 0 HG3 ARG A 67 6.853 6.963 -9.120 1.00 3.44 H new ATOM 0 HD2 ARG A 67 5.408 8.784 -8.782 1.00 25.13 H new ATOM 0 HD3 ARG A 67 4.372 7.896 -7.681 1.00 25.13 H new ATOM 0 HE ARG A 67 7.160 8.625 -6.865 1.00 72.12 H new ATOM 0 HH11 ARG A 67 3.655 8.866 -6.245 1.00 44.34 H new ATOM 0 HH12 ARG A 67 3.903 9.648 -4.681 1.00 44.34 H new ATOM 0 HH21 ARG A 67 7.420 9.607 -4.908 1.00 65.22 H new ATOM 0 HH22 ARG A 67 6.021 10.065 -3.930 1.00 65.22 H new ATOM 1027 N ALA A 68 3.676 3.440 -10.210 1.00 65.03 N ATOM 1028 CA ALA A 68 2.745 2.694 -11.049 1.00 54.40 C ATOM 1029 C ALA A 68 2.014 1.616 -10.244 1.00 22.02 C ATOM 1030 O ALA A 68 0.797 1.475 -10.371 1.00 5.43 O ATOM 1031 CB ALA A 68 3.492 2.084 -12.235 1.00 22.42 C ATOM 0 H ALA A 68 4.624 3.481 -10.585 1.00 65.03 H new ATOM 0 HA ALA A 68 1.989 3.382 -11.427 1.00 54.40 H new ATOM 0 HB1 ALA A 68 2.792 1.528 -12.859 1.00 22.42 H new ATOM 0 HB2 ALA A 68 3.950 2.878 -12.824 1.00 22.42 H new ATOM 0 HB3 ALA A 68 4.267 1.410 -11.869 1.00 22.42 H new ATOM 1037 N LYS A 69 2.733 0.880 -9.387 1.00 42.22 N ATOM 1038 CA LYS A 69 2.144 -0.188 -8.589 1.00 45.53 C ATOM 1039 C LYS A 69 1.021 0.322 -7.681 1.00 64.02 C ATOM 1040 O LYS A 69 0.011 -0.363 -7.518 1.00 5.14 O ATOM 1041 CB LYS A 69 3.229 -0.905 -7.772 1.00 11.55 C ATOM 1042 CG LYS A 69 2.734 -2.289 -7.361 1.00 52.22 C ATOM 1043 CD LYS A 69 2.994 -3.333 -8.450 1.00 23.31 C ATOM 1044 CE LYS A 69 2.169 -4.589 -8.179 1.00 1.23 C ATOM 1045 NZ LYS A 69 0.764 -4.402 -8.594 1.00 72.12 N ATOM 0 H LYS A 69 3.733 1.011 -9.232 1.00 42.22 H new ATOM 0 HA LYS A 69 1.694 -0.903 -9.278 1.00 45.53 H new ATOM 0 HB2 LYS A 69 4.142 -0.995 -8.361 1.00 11.55 H new ATOM 0 HB3 LYS A 69 3.478 -0.320 -6.887 1.00 11.55 H new ATOM 0 HG2 LYS A 69 3.230 -2.594 -6.440 1.00 52.22 H new ATOM 0 HG3 LYS A 69 1.666 -2.244 -7.148 1.00 52.22 H new ATOM 0 HD2 LYS A 69 2.737 -2.923 -9.427 1.00 23.31 H new ATOM 0 HD3 LYS A 69 4.054 -3.584 -8.479 1.00 23.31 H new ATOM 0 HE2 LYS A 69 2.600 -5.434 -8.715 1.00 1.23 H new ATOM 0 HE3 LYS A 69 2.209 -4.832 -7.117 1.00 1.23 H new ATOM 0 HZ1 LYS A 69 0.263 -5.312 -8.542 1.00 72.12 H new ATOM 0 HZ2 LYS A 69 0.304 -3.717 -7.962 1.00 72.12 H new ATOM 0 HZ3 LYS A 69 0.735 -4.046 -9.571 1.00 72.12 H new ATOM 1059 N TYR A 70 1.194 1.481 -7.046 1.00 43.51 N ATOM 1060 CA TYR A 70 0.193 2.057 -6.152 1.00 44.53 C ATOM 1061 C TYR A 70 -0.947 2.666 -6.973 1.00 44.23 C ATOM 1062 O TYR A 70 -2.119 2.378 -6.724 1.00 62.33 O ATOM 1063 CB TYR A 70 0.865 3.101 -5.249 1.00 34.11 C ATOM 1064 CG TYR A 70 0.050 3.589 -4.062 1.00 21.44 C ATOM 1065 CD1 TYR A 70 -0.275 2.708 -3.005 1.00 11.51 C ATOM 1066 CD2 TYR A 70 -0.306 4.949 -3.964 1.00 32.44 C ATOM 1067 CE1 TYR A 70 -0.876 3.205 -1.832 1.00 52.24 C ATOM 1068 CE2 TYR A 70 -0.930 5.444 -2.804 1.00 63.42 C ATOM 1069 CZ TYR A 70 -1.183 4.579 -1.722 1.00 53.22 C ATOM 1070 OH TYR A 70 -1.764 5.088 -0.606 1.00 54.30 O ATOM 0 H TYR A 70 2.037 2.048 -7.139 1.00 43.51 H new ATOM 0 HA TYR A 70 -0.236 1.282 -5.517 1.00 44.53 H new ATOM 0 HB2 TYR A 70 1.797 2.679 -4.874 1.00 34.11 H new ATOM 0 HB3 TYR A 70 1.129 3.964 -5.861 1.00 34.11 H new ATOM 0 HD1 TYR A 70 -0.062 1.653 -3.097 1.00 11.51 H new ATOM 0 HD2 TYR A 70 -0.098 5.617 -4.787 1.00 32.44 H new ATOM 0 HE1 TYR A 70 -1.102 2.535 -1.016 1.00 52.24 H new ATOM 0 HE2 TYR A 70 -1.214 6.484 -2.744 1.00 63.42 H new ATOM 0 HH TYR A 70 -2.113 4.356 -0.056 1.00 54.30 H new ATOM 1080 N GLU A 71 -0.609 3.463 -7.991 1.00 64.33 N ATOM 1081 CA GLU A 71 -1.550 4.157 -8.863 1.00 3.35 C ATOM 1082 C GLU A 71 -2.538 3.161 -9.484 1.00 32.05 C ATOM 1083 O GLU A 71 -3.752 3.398 -9.477 1.00 43.20 O ATOM 1084 CB GLU A 71 -0.781 4.922 -9.965 1.00 63.33 C ATOM 1085 CG GLU A 71 0.044 6.136 -9.480 1.00 24.45 C ATOM 1086 CD GLU A 71 -0.770 7.368 -9.072 1.00 72.04 C ATOM 1087 OE1 GLU A 71 -2.013 7.265 -8.909 1.00 5.15 O ATOM 1088 OE2 GLU A 71 -0.148 8.424 -8.796 1.00 30.05 O ATOM 0 H GLU A 71 0.364 3.647 -8.236 1.00 64.33 H new ATOM 0 HA GLU A 71 -2.118 4.875 -8.271 1.00 3.35 H new ATOM 0 HB2 GLU A 71 -0.109 4.225 -10.466 1.00 63.33 H new ATOM 0 HB3 GLU A 71 -1.497 5.266 -10.711 1.00 63.33 H new ATOM 0 HG2 GLU A 71 0.650 5.825 -8.629 1.00 24.45 H new ATOM 0 HG3 GLU A 71 0.734 6.425 -10.273 1.00 24.45 H new ATOM 1095 N GLY A 72 -2.045 2.044 -10.022 1.00 31.02 N ATOM 1096 CA GLY A 72 -2.830 1.051 -10.744 1.00 30.11 C ATOM 1097 C GLY A 72 -3.664 0.150 -9.835 1.00 72.22 C ATOM 1098 O GLY A 72 -4.491 -0.625 -10.330 1.00 43.42 O ATOM 0 H GLY A 72 -1.056 1.801 -9.963 1.00 31.02 H new ATOM 0 HA2 GLY A 72 -3.493 1.562 -11.442 1.00 30.11 H new ATOM 0 HA3 GLY A 72 -2.158 0.431 -11.338 1.00 30.11 H new ATOM 1102 N LEU A 73 -3.488 0.238 -8.516 1.00 72.32 N ATOM 1103 CA LEU A 73 -4.054 -0.677 -7.545 1.00 52.32 C ATOM 1104 C LEU A 73 -5.484 -0.328 -7.211 1.00 23.03 C ATOM 1105 O LEU A 73 -6.154 -1.152 -6.604 1.00 1.53 O ATOM 1106 CB LEU A 73 -3.261 -0.596 -6.230 1.00 24.22 C ATOM 1107 CG LEU A 73 -3.195 -1.891 -5.402 1.00 72.23 C ATOM 1108 CD1 LEU A 73 -2.697 -3.093 -6.215 1.00 63.02 C ATOM 1109 CD2 LEU A 73 -2.167 -1.590 -4.309 1.00 42.21 C ATOM 0 H LEU A 73 -2.928 0.975 -8.088 1.00 72.32 H new ATOM 0 HA LEU A 73 -4.009 -1.672 -7.987 1.00 52.32 H new ATOM 0 HB2 LEU A 73 -2.243 -0.284 -6.461 1.00 24.22 H new ATOM 0 HB3 LEU A 73 -3.701 0.186 -5.611 1.00 24.22 H new ATOM 0 HG LEU A 73 -4.186 -2.156 -5.034 1.00 72.23 H new ATOM 0 HD11 LEU A 73 -2.672 -3.977 -5.578 1.00 63.02 H new ATOM 0 HD12 LEU A 73 -3.370 -3.269 -7.054 1.00 63.02 H new ATOM 0 HD13 LEU A 73 -1.695 -2.888 -6.591 1.00 63.02 H new ATOM 0 HD21 LEU A 73 -2.054 -2.463 -3.666 1.00 42.21 H new ATOM 0 HD22 LEU A 73 -1.208 -1.350 -4.768 1.00 42.21 H new ATOM 0 HD23 LEU A 73 -2.506 -0.742 -3.714 1.00 42.21 H new ATOM 1121 N MET A 74 -5.952 0.886 -7.513 1.00 61.11 N ATOM 1122 CA MET A 74 -7.249 1.326 -7.006 1.00 13.35 C ATOM 1123 C MET A 74 -8.370 0.404 -7.498 1.00 65.14 C ATOM 1124 O MET A 74 -9.239 0.021 -6.714 1.00 41.42 O ATOM 1125 CB MET A 74 -7.491 2.797 -7.350 1.00 50.11 C ATOM 1126 CG MET A 74 -8.791 3.295 -6.716 1.00 73.02 C ATOM 1127 SD MET A 74 -8.874 5.082 -6.463 1.00 12.23 S ATOM 1128 CE MET A 74 -7.841 5.215 -4.981 1.00 34.21 C ATOM 0 H MET A 74 -5.463 1.567 -8.094 1.00 61.11 H new ATOM 0 HA MET A 74 -7.247 1.255 -5.918 1.00 13.35 H new ATOM 0 HB2 MET A 74 -6.654 3.400 -6.997 1.00 50.11 H new ATOM 0 HB3 MET A 74 -7.538 2.919 -8.432 1.00 50.11 H new ATOM 0 HG2 MET A 74 -9.626 2.992 -7.348 1.00 73.02 H new ATOM 0 HG3 MET A 74 -8.923 2.799 -5.754 1.00 73.02 H new ATOM 0 HE1 MET A 74 -7.835 6.248 -4.633 1.00 34.21 H new ATOM 0 HE2 MET A 74 -8.243 4.571 -4.198 1.00 34.21 H new ATOM 0 HE3 MET A 74 -6.823 4.906 -5.218 1.00 34.21 H new ATOM 1138 N ALA A 75 -8.297 -0.048 -8.753 1.00 50.12 N ATOM 1139 CA ALA A 75 -9.225 -1.040 -9.281 1.00 5.41 C ATOM 1140 C ALA A 75 -9.086 -2.376 -8.559 1.00 5.33 C ATOM 1141 O ALA A 75 -10.097 -3.011 -8.262 1.00 33.00 O ATOM 1142 CB ALA A 75 -8.968 -1.273 -10.765 1.00 21.32 C ATOM 0 H ALA A 75 -7.596 0.264 -9.425 1.00 50.12 H new ATOM 0 HA ALA A 75 -10.231 -0.649 -9.126 1.00 5.41 H new ATOM 0 HB1 ALA A 75 -9.670 -2.016 -11.143 1.00 21.32 H new ATOM 0 HB2 ALA A 75 -9.102 -0.338 -11.309 1.00 21.32 H new ATOM 0 HB3 ALA A 75 -7.948 -1.632 -10.906 1.00 21.32 H new ATOM 1148 N VAL A 76 -7.852 -2.813 -8.270 1.00 54.43 N ATOM 1149 CA VAL A 76 -7.639 -4.124 -7.651 1.00 15.14 C ATOM 1150 C VAL A 76 -8.197 -4.076 -6.228 1.00 35.44 C ATOM 1151 O VAL A 76 -8.904 -4.977 -5.779 1.00 2.41 O ATOM 1152 CB VAL A 76 -6.147 -4.507 -7.677 1.00 23.02 C ATOM 1153 CG1 VAL A 76 -5.943 -5.959 -7.221 1.00 20.32 C ATOM 1154 CG2 VAL A 76 -5.529 -4.339 -9.078 1.00 72.22 C ATOM 0 H VAL A 76 -6.999 -2.285 -8.453 1.00 54.43 H new ATOM 0 HA VAL A 76 -8.163 -4.898 -8.212 1.00 15.14 H new ATOM 0 HB VAL A 76 -5.645 -3.827 -6.988 1.00 23.02 H new ATOM 0 HG11 VAL A 76 -4.881 -6.203 -7.249 1.00 20.32 H new ATOM 0 HG12 VAL A 76 -6.316 -6.077 -6.204 1.00 20.32 H new ATOM 0 HG13 VAL A 76 -6.487 -6.629 -7.887 1.00 20.32 H new ATOM 0 HG21 VAL A 76 -4.476 -4.621 -9.048 1.00 72.22 H new ATOM 0 HG22 VAL A 76 -6.055 -4.978 -9.787 1.00 72.22 H new ATOM 0 HG23 VAL A 76 -5.617 -3.299 -9.392 1.00 72.22 H new ATOM 1164 N ALA A 77 -7.921 -2.973 -5.533 1.00 35.31 N ATOM 1165 CA ALA A 77 -8.397 -2.693 -4.205 1.00 42.12 C ATOM 1166 C ALA A 77 -9.924 -2.758 -4.210 1.00 11.21 C ATOM 1167 O ALA A 77 -10.514 -3.541 -3.465 1.00 51.42 O ATOM 1168 CB ALA A 77 -7.879 -1.326 -3.738 1.00 75.13 C ATOM 0 H ALA A 77 -7.334 -2.228 -5.908 1.00 35.31 H new ATOM 0 HA ALA A 77 -8.022 -3.434 -3.499 1.00 42.12 H new ATOM 0 HB1 ALA A 77 -8.245 -1.123 -2.731 1.00 75.13 H new ATOM 0 HB2 ALA A 77 -6.789 -1.332 -3.734 1.00 75.13 H new ATOM 0 HB3 ALA A 77 -8.235 -0.551 -4.417 1.00 75.13 H new ATOM 1174 N LYS A 78 -10.585 -1.907 -5.002 1.00 55.35 N ATOM 1175 CA LYS A 78 -12.046 -1.796 -5.015 1.00 54.45 C ATOM 1176 C LYS A 78 -12.681 -3.128 -5.387 1.00 4.21 C ATOM 1177 O LYS A 78 -13.653 -3.507 -4.739 1.00 54.41 O ATOM 1178 CB LYS A 78 -12.500 -0.686 -5.980 1.00 12.31 C ATOM 1179 CG LYS A 78 -12.201 0.724 -5.437 1.00 71.24 C ATOM 1180 CD LYS A 78 -12.202 1.780 -6.550 1.00 4.25 C ATOM 1181 CE LYS A 78 -13.591 2.058 -7.141 1.00 21.32 C ATOM 1182 NZ LYS A 78 -13.476 2.589 -8.514 1.00 64.32 N ATOM 0 H LYS A 78 -10.120 -1.275 -5.653 1.00 55.35 H new ATOM 0 HA LYS A 78 -12.377 -1.529 -4.012 1.00 54.45 H new ATOM 0 HB2 LYS A 78 -12.000 -0.816 -6.940 1.00 12.31 H new ATOM 0 HB3 LYS A 78 -13.570 -0.783 -6.162 1.00 12.31 H new ATOM 0 HG2 LYS A 78 -12.945 0.988 -4.686 1.00 71.24 H new ATOM 0 HG3 LYS A 78 -11.231 0.723 -4.939 1.00 71.24 H new ATOM 0 HD2 LYS A 78 -11.793 2.710 -6.156 1.00 4.25 H new ATOM 0 HD3 LYS A 78 -11.537 1.453 -7.349 1.00 4.25 H new ATOM 0 HE2 LYS A 78 -14.179 1.140 -7.149 1.00 21.32 H new ATOM 0 HE3 LYS A 78 -14.123 2.772 -6.513 1.00 21.32 H new ATOM 0 HZ1 LYS A 78 -14.426 2.771 -8.897 1.00 64.32 H new ATOM 0 HZ2 LYS A 78 -12.933 3.476 -8.499 1.00 64.32 H new ATOM 0 HZ3 LYS A 78 -12.988 1.895 -9.115 1.00 64.32 H new ATOM 1196 N ALA A 79 -12.132 -3.855 -6.361 1.00 24.10 N ATOM 1197 CA ALA A 79 -12.665 -5.153 -6.747 1.00 42.53 C ATOM 1198 C ALA A 79 -12.595 -6.179 -5.613 1.00 71.32 C ATOM 1199 O ALA A 79 -13.401 -7.102 -5.629 1.00 34.03 O ATOM 1200 CB ALA A 79 -11.925 -5.672 -7.976 1.00 53.44 C ATOM 0 H ALA A 79 -11.315 -3.561 -6.896 1.00 24.10 H new ATOM 0 HA ALA A 79 -13.720 -5.014 -6.983 1.00 42.53 H new ATOM 0 HB1 ALA A 79 -12.328 -6.644 -8.260 1.00 53.44 H new ATOM 0 HB2 ALA A 79 -12.053 -4.971 -8.801 1.00 53.44 H new ATOM 0 HB3 ALA A 79 -10.864 -5.773 -7.746 1.00 53.44 H new ATOM 1206 N GLN A 80 -11.697 -6.050 -4.626 1.00 40.54 N ATOM 1207 CA GLN A 80 -11.784 -6.881 -3.428 1.00 71.11 C ATOM 1208 C GLN A 80 -12.991 -6.472 -2.568 1.00 41.25 C ATOM 1209 O GLN A 80 -13.661 -7.346 -2.047 1.00 4.50 O ATOM 1210 CB GLN A 80 -10.468 -6.871 -2.618 1.00 74.44 C ATOM 1211 CG GLN A 80 -9.351 -7.678 -3.318 1.00 51.51 C ATOM 1212 CD GLN A 80 -8.072 -7.873 -2.487 1.00 62.05 C ATOM 1213 OE1 GLN A 80 -8.016 -7.646 -1.279 1.00 64.13 O ATOM 1214 NE2 GLN A 80 -6.993 -8.288 -3.132 1.00 12.31 N ATOM 0 H GLN A 80 -10.919 -5.391 -4.636 1.00 40.54 H new ATOM 0 HA GLN A 80 -11.938 -7.911 -3.750 1.00 71.11 H new ATOM 0 HB2 GLN A 80 -10.137 -5.842 -2.476 1.00 74.44 H new ATOM 0 HB3 GLN A 80 -10.649 -7.287 -1.627 1.00 74.44 H new ATOM 0 HG2 GLN A 80 -9.745 -8.658 -3.586 1.00 51.51 H new ATOM 0 HG3 GLN A 80 -9.088 -7.175 -4.249 1.00 51.51 H new ATOM 0 HE21 GLN A 80 -7.038 -8.476 -4.133 1.00 12.31 H new ATOM 0 HE22 GLN A 80 -6.116 -8.419 -2.628 1.00 12.31 H new ATOM 1223 N LEU A 81 -13.309 -5.182 -2.409 1.00 42.23 N ATOM 1224 CA LEU A 81 -14.362 -4.711 -1.501 1.00 51.51 C ATOM 1225 C LEU A 81 -15.750 -5.007 -2.043 1.00 63.01 C ATOM 1226 O LEU A 81 -16.637 -5.386 -1.281 1.00 40.45 O ATOM 1227 CB LEU A 81 -14.127 -3.229 -1.151 1.00 51.33 C ATOM 1228 CG LEU A 81 -15.035 -2.173 -1.801 1.00 2.33 C ATOM 1229 CD1 LEU A 81 -16.362 -2.026 -1.053 1.00 55.45 C ATOM 1230 CD2 LEU A 81 -14.368 -0.792 -1.771 1.00 31.20 C ATOM 0 H LEU A 81 -12.839 -4.429 -2.911 1.00 42.23 H new ATOM 0 HA LEU A 81 -14.307 -5.269 -0.566 1.00 51.51 H new ATOM 0 HB2 LEU A 81 -14.217 -3.125 -0.070 1.00 51.33 H new ATOM 0 HB3 LEU A 81 -13.096 -2.986 -1.410 1.00 51.33 H new ATOM 0 HG LEU A 81 -15.209 -2.512 -2.822 1.00 2.33 H new ATOM 0 HD11 LEU A 81 -16.975 -1.270 -1.544 1.00 55.45 H new ATOM 0 HD12 LEU A 81 -16.890 -2.980 -1.057 1.00 55.45 H new ATOM 0 HD13 LEU A 81 -16.168 -1.723 -0.024 1.00 55.45 H new ATOM 0 HD21 LEU A 81 -15.027 -0.059 -2.236 1.00 31.20 H new ATOM 0 HD22 LEU A 81 -14.176 -0.503 -0.738 1.00 31.20 H new ATOM 0 HD23 LEU A 81 -13.426 -0.831 -2.318 1.00 31.20 H new ATOM 1242 N MET A 82 -15.942 -4.879 -3.351 1.00 62.43 N ATOM 1243 CA MET A 82 -17.210 -5.168 -4.017 1.00 42.41 C ATOM 1244 C MET A 82 -17.561 -6.662 -3.973 1.00 73.32 C ATOM 1245 O MET A 82 -18.564 -7.074 -4.561 1.00 0.33 O ATOM 1246 CB MET A 82 -17.132 -4.662 -5.464 1.00 40.32 C ATOM 1247 CG MET A 82 -16.899 -3.149 -5.521 1.00 54.32 C ATOM 1248 SD MET A 82 -18.211 -2.142 -4.775 1.00 14.30 S ATOM 1249 CE MET A 82 -17.308 -0.593 -4.555 1.00 2.12 C ATOM 0 H MET A 82 -15.211 -4.567 -3.990 1.00 62.43 H new ATOM 0 HA MET A 82 -18.010 -4.652 -3.486 1.00 42.41 H new ATOM 0 HB2 MET A 82 -16.324 -5.175 -5.986 1.00 40.32 H new ATOM 0 HB3 MET A 82 -18.056 -4.908 -5.986 1.00 40.32 H new ATOM 0 HG2 MET A 82 -15.958 -2.922 -5.019 1.00 54.32 H new ATOM 0 HG3 MET A 82 -16.783 -2.853 -6.564 1.00 54.32 H new ATOM 0 HE1 MET A 82 -17.948 0.134 -4.055 1.00 2.12 H new ATOM 0 HE2 MET A 82 -16.420 -0.772 -3.949 1.00 2.12 H new ATOM 0 HE3 MET A 82 -17.010 -0.204 -5.529 1.00 2.12 H new ATOM 1259 N ASP A 83 -16.736 -7.462 -3.304 1.00 12.34 N ATOM 1260 CA ASP A 83 -16.644 -8.902 -3.402 1.00 61.05 C ATOM 1261 C ASP A 83 -16.377 -9.530 -2.028 1.00 3.54 C ATOM 1262 O ASP A 83 -16.706 -10.694 -1.823 1.00 54.54 O ATOM 1263 CB ASP A 83 -15.480 -9.156 -4.359 1.00 0.33 C ATOM 1264 CG ASP A 83 -15.603 -10.430 -5.166 1.00 51.43 C ATOM 1265 OD1 ASP A 83 -16.534 -10.533 -5.995 1.00 33.34 O ATOM 1266 OD2 ASP A 83 -14.595 -11.170 -5.184 1.00 24.22 O ATOM 0 H ASP A 83 -16.068 -7.085 -2.631 1.00 12.34 H new ATOM 0 HA ASP A 83 -17.571 -9.349 -3.760 1.00 61.05 H new ATOM 0 HB2 ASP A 83 -15.398 -8.312 -5.044 1.00 0.33 H new ATOM 0 HB3 ASP A 83 -14.554 -9.192 -3.785 1.00 0.33 H new ATOM 1271 N GLU A 84 -15.847 -8.741 -1.077 1.00 73.35 N ATOM 1272 CA GLU A 84 -15.194 -9.141 0.176 1.00 54.33 C ATOM 1273 C GLU A 84 -16.016 -10.036 1.091 1.00 52.22 C ATOM 1274 O GLU A 84 -15.456 -10.723 1.951 1.00 35.31 O ATOM 1275 CB GLU A 84 -14.747 -7.907 0.987 1.00 20.02 C ATOM 1276 CG GLU A 84 -15.946 -7.096 1.499 1.00 72.44 C ATOM 1277 CD GLU A 84 -15.595 -5.684 1.979 1.00 15.23 C ATOM 1278 OE1 GLU A 84 -14.465 -5.467 2.459 1.00 24.03 O ATOM 1279 OE2 GLU A 84 -16.472 -4.786 1.994 1.00 21.30 O ATOM 0 H GLU A 84 -15.867 -7.726 -1.175 1.00 73.35 H new ATOM 0 HA GLU A 84 -14.343 -9.733 -0.159 1.00 54.33 H new ATOM 0 HB2 GLU A 84 -14.138 -8.229 1.832 1.00 20.02 H new ATOM 0 HB3 GLU A 84 -14.118 -7.271 0.364 1.00 20.02 H new ATOM 0 HG2 GLU A 84 -16.686 -7.022 0.702 1.00 72.44 H new ATOM 0 HG3 GLU A 84 -16.414 -7.640 2.320 1.00 72.44 H new ATOM 1286 N LEU A 85 -17.340 -9.922 0.997 1.00 24.23 N ATOM 1287 CA LEU A 85 -18.281 -10.663 1.821 1.00 63.44 C ATOM 1288 C LEU A 85 -18.866 -11.747 0.953 1.00 43.31 C ATOM 1289 O LEU A 85 -18.341 -12.872 1.013 1.00 61.31 O ATOM 1290 CB LEU A 85 -19.318 -9.725 2.461 1.00 24.04 C ATOM 1291 CG LEU A 85 -19.866 -10.281 3.787 1.00 71.31 C ATOM 1292 CD1 LEU A 85 -20.818 -9.254 4.403 1.00 62.35 C ATOM 1293 CD2 LEU A 85 -20.578 -11.624 3.623 1.00 14.41 C ATOM 0 H LEU A 85 -17.793 -9.297 0.330 1.00 24.23 H new ATOM 0 HA LEU A 85 -17.793 -11.133 2.675 1.00 63.44 H new ATOM 0 HB2 LEU A 85 -18.863 -8.750 2.638 1.00 24.04 H new ATOM 0 HB3 LEU A 85 -20.143 -9.570 1.766 1.00 24.04 H new ATOM 0 HG LEU A 85 -19.016 -10.460 4.445 1.00 71.31 H new ATOM 0 HD11 LEU A 85 -21.211 -9.640 5.343 1.00 62.35 H new ATOM 0 HD12 LEU A 85 -20.280 -8.325 4.589 1.00 62.35 H new ATOM 0 HD13 LEU A 85 -21.643 -9.064 3.716 1.00 62.35 H new ATOM 0 HD21 LEU A 85 -20.942 -11.964 4.593 1.00 14.41 H new ATOM 0 HD22 LEU A 85 -21.419 -11.509 2.940 1.00 14.41 H new ATOM 0 HD23 LEU A 85 -19.881 -12.358 3.219 1.00 14.41 H new TER 1305 LEU A 85